6877385
  -OEChem-05102409572D

 32 34  0     0  0  0  0  0  0999 V2000
    9.0443   -2.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.9748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -1.6817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    1.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7394    2.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -1.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -1.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -0.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713    3.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    2.7848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    1.9378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.6025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -2.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6512   -2.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6877385

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB/AAAHAAECAAADAjBHgQywPMcEACgAzRjRACCgCAhAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOiAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E)-9-ethylcarbazole-3-carbaldehyde oxime

> <PUBCHEM_IUPAC_CAS_NAME>
(3E)-9-ethyl-3-carbazolecarboxaldehyde oxime

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>N</I><I>E</I>)-<I>N</I>-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine

> <PUBCHEM_IUPAC_NAME>
(NE)-N-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(NE)-N-[(9-ethylcarbazol-3-yl)methylidene]hydroxylamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E)-9-ethylcarbazole-3-carbaldehyde oxime

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2O/c1-2-17-14-6-4-3-5-12(14)13-9-11(10-16-18)7-8-15(13)17/h3-10,18H,2H2,1H3/b16-10+

> <PUBCHEM_IUPAC_INCHIKEY>
FTCBKTWYMQRPFV-MHWRWJLKSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
238.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C2=C(C=C(C=C2)C=NO)C3=CC=CC=C31

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C2=C(C=C(C=C2)/C=N/O)C3=CC=CC=C31

> <PUBCHEM_CACTVS_TPSA>
37.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  16  8
12  17  8
13  14  8
16  17  8
2  4  8
2  5  8
4  10  8
4  6  8
5  11  8
5  7  8
6  7  8
6  9  8
7  12  8
9  13  8

$$$$