2-[3-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(Z)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]indol-1-yl]acetic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

InChI=1S/C21H17N3O3/c1-14-6-2-4-8-18(14)23-21(27)15(11-22)10-16-12-24(13-20(25)26)19-9-5-3-7-17(16)19/h2-10,12H,13H2,1H3,(H,23,27)(H,25,26)/b15-10-