54702518 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 8 8 7 7 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 1 1 1 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 10 12 12 13 14 14 15 15 16 18 18 18 20 20 20 21 21 21 13 30 11 19 20 17 19 10 11 22 17 18 27 9 10 12 11 13 14 15 23 17 16 24 16 25 26 19 28 29 21 31 32 33 34 35 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 9 8 11 13 1 17 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 4.3211 6.2619 8.5458 6.6353 6.8994 4.6783 6.2781 3.732 4.6783 3.732 5.2619 2.866 4.9889 2.866 2 2 5.9674 7.2566 7.5673 8.8564 9.8349 4.8709 2.866 2.866 1.4631 1.4631 5.864 7.2772 7.8704 4.5137 8.8359 8.2426 9.9628 10.4416 9.7071 0.4807 -2.0188 2.2561 -0.8016 2.7942 -2.8236 0.8932 -1.5188 -1.2141 -2.5188 -2.0188 -1.0188 -0.2636 -3.0188 -1.5188 -2.5188 -0.0573 1.0994 2.0499 3.2066 3.4129 -3.4129 -0.3988 -3.6388 -1.2088 -2.8288 1.3546 0.4797 1.012 1.0701 3.8263 3.294 2.8062 3.5407 4.0196 8 8 8 8 8 8 8 8 10 12 14 15 10 12 14 15 16 16 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 486 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733800000000000000000000000000000160000000300000000000000058010000001E00100800000C0CE1980632C882C00600880225D25802820000212200088881C864C80A2032C095B1872008609600D8C9071C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 2-[[(2E)-2-hydroxy-2-(2-oxoindolin-3-ylidene)acetyl]amino]acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[(2E)-2-hydroxy-1-oxo-2-(2-oxo-1H-indol-3-ylidene)ethyl]amino]acetic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 2-[[(2<I>E</I>)-2-hydroxy-2-(2-oxo-1<I>H</I>-indol-3-ylidene)acetyl]amino]acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 2-[[(2E)-2-hydroxy-2-(2-oxo-1H-indol-3-ylidene)acetyl]amino]acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethyl 2-[[(2E)-2-oxidanyl-2-(2-oxidanylidene-1H-indol-3-ylidene)ethanoyl]amino]ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[(2E)-2-hydroxy-2-(2-ketoindolin-3-ylidene)acetyl]amino]acetic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H14N2O5/c1-2-21-10(17)7-15-14(20)12(18)11-8-5-3-4-6-9(8)16-13(11)19/h3-6,18H,2,7H2,1H3,(H,15,20)(H,16,19)/b12-11+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FNAAEUDMHNBQMF-VAWYXSNFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.09027155 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H14N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(=O)CNC(=O)C(=C1C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC(=O)CNC(=O)/C(=C\1/C2=CC=CC=C2NC1=O)/O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.09027155 21 0 0 0 1 1 0 0 1 -1