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

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5/c1-2-31-23(30)15-7-9-18(10-8-15)25-22(29)16(12-24)11-17-13-26(14-21(27)28)20-6-4-3-5-19(17)20/h3-11,13H,2,14H2,1H3,(H,25,29)(H,27,28)/b16-11+