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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-3-(4-acetylanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-acetylanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4/c1-14(26)15-6-8-18(9-7-15)24-22(29)16(11-23)10-17-12-25(13-21(27)28)20-5-3-2-4-19(17)20/h2-10,12H,13H2,1H3,(H,24,29)(H,27,28)/b16-10+