11404055 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 6 7 8 8 8 9 10 10 11 12 14 14 15 15 16 16 17 17 18 18 19 20 20 21 22 23 13 22 7 35 10 13 24 9 11 12 22 31 23 9 12 14 13 11 15 17 16 18 25 20 26 19 27 21 28 19 29 30 21 32 33 23 34 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 7 -1 3 23 22 34 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 6.3981 6.3981 3.8 4.666 4.666 5.5321 4.666 6.3981 5.5321 3.8 3.8 6.3981 5.5321 7.2641 2.9061 7.2641 2.9061 8.1301 8.1301 2 2 5.5321 4.666 4.666 7.2641 2.9132 7.2641 2.9132 8.6671 8.6671 4.9951 1.4643 1.4643 4.1291 3.8 -3.25 1.75 3.25 -3.25 -1.25 0.25 2.75 -1.25 -1.75 -2.75 -1.75 -0.25 -2.75 -1.75 -3.2847 0.25 -1.2153 -1.25 -0.25 -2.7708 -1.7292 1.25 1.75 -3.87 -2.37 -3.9046 0.87 -0.5954 -1.56 0.06 -0.06 -3.0829 -1.4171 1.44 3.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 8 9 10 10 11 12 14 15 16 17 18 20 10 13 9 11 12 14 13 11 15 17 16 18 20 19 21 19 21 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 531 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB000000000000000000000000000000000000000306080000000000000814000001E00140800000C08C1980430C082D00000A803357354008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-2-hydroxyimino-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-2-hydroxyimino-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>E</I>)-2-hydroxyimino-<I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-2-hydroxyimino-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-2-hydroxyimino-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-2-hydroximino-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H12N4O3/c21-14(9-17-23)18-11-6-2-1-5-10(11)15-16(22)20-13-8-4-3-7-12(13)19-15/h1-9,23H,(H,18,21)(H,20,22)/b17-9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 APFAZTVDROYNDT-RQZCQDPDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.09094026 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H12N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C=NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)/C=N/O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.09094026 23 0 0 0 1 1 0 0 1 -1