2-[3-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(Z)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(Z)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(Z)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]indol-1-yl]acetic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC(=O)O)/C#N

InChI

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