2-[3-[(E)-2-cyano-3-[(4-ethanoylphenyl)-methyl-amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(4-ethanoylphenyl)-methyl-amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(4-acetyl-N-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-3-(4-acetyl-N-methylanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-3-(4-acetyl-N-methylanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-acetyl-N-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c1-15(27)16-7-9-19(10-8-16)25(2)23(30)17(12-24)11-18-13-26(14-22(28)29)21-6-4-3-5-20(18)21/h3-11,13H,14H2,1-2H3,(H,28,29)/b17-11+