3-[[3-[3-[(3-carboxyphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-[3-[(3-carboxyphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[3-(3-carboxyanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[3-(3-carboxyanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]methyl]benzoic acid Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H19N3O5/c28-14-20(25(31)29-22-8-4-7-19(13-22)27(34)35)12-21-16-30(24-10-2-1-9-23(21)24)15-17-5-3-6-18(11-17)26(32)33/h1-13,16H,15H2,(H,29,31)(H,32,33)(H,34,35)