5-[[3-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[3-[2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]indol-1-yl]methyl]-2-furoic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(O4)C(=O)O)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(O4)C(=O)O)C#N

InChI

InChI=1S/C25H19N3O4/c1-16-5-4-6-19(11-16)27-24(29)17(13-26)12-18-14-28(22-8-3-2-7-21(18)22)15-20-9-10-23(32-20)25(30)31/h2-12,14H,15H2,1H3,(H,27,29)(H,30,31)