54691795 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 9 8 8 8 8 8 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 5 -1 9 1 1 2 2 3 4 5 6 7 7 7 8 8 8 9 10 10 10 11 12 12 14 14 15 15 16 17 18 20 20 21 21 22 22 23 23 24 24 25 16 33 13 19 9 9 11 13 26 19 20 30 17 11 12 14 15 13 16 17 27 18 28 19 18 29 21 22 23 31 24 32 25 34 25 35 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 12 10 13 16 2 19 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 11.9242 6.0531 7.9939 8.3673 2 2.866 6.4103 8.0102 2.866 5.4641 5.4641 6.4103 6.9939 4.5981 4.5981 6.721 3.732 3.732 7.6995 8.9887 9.2993 9.6565 10.2778 10.635 10.9457 6.6029 4.5981 4.5981 3.1951 7.5961 8.8853 9.4639 6.2458 10.4704 11.0491 2.2964 1.0591 -1.4404 -0.2233 -0.9404 0.5596 -2.2452 1.4715 -0.4404 -0.9404 -1.9404 -0.6357 -1.4404 -0.4404 -2.4404 0.3148 -0.9404 -1.9404 0.521 1.6778 2.6283 0.9335 2.8345 1.1397 2.0902 -2.8345 0.1796 -3.0604 -2.2504 1.933 3.0898 0.3441 1.6484 3.4238 0.6782 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 14 15 17 20 20 21 22 23 24 11 14 15 17 18 18 21 22 23 24 25 25 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 609 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3900000000000000000000000000000160000000306000000000000058014000001F00140800000C0C81980830C082D042008902255253028200002122002888014064CA0A2032C09591842008609400D8C9071C89809E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-indolin-3-ylidene)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>E</I>)-<I>N</I>-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1<I>H</I>-indol-3-ylidene)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-N-(4-fluorophenyl)-2-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-2-oxidanyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2E)-N-(4-fluorophenyl)-2-hydroxy-2-(2-keto-5-nitro-indolin-3-ylidene)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H10FN3O5/c17-8-1-3-9(4-2-8)18-16(23)14(21)13-11-7-10(20(24)25)5-6-12(11)19-15(13)22/h1-7,21H,(H,18,23)(H,19,22)/b14-13+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SLVNMUYCQYJTSF-BUHFOSPRSA-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 2021.05.07 343.06044859 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H10FN3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NC(=O)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NC(=O)/C(=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/O)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 124 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.06044859 25 0 0 0 1 1 0 0 1 -1