3-[2-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/C#N

InChI

InChI=1S/C23H19N3O3/c1-2-16-7-3-4-11-21(16)25-22(27)18(15-24)14-20-10-6-12-26(20)19-9-5-8-17(13-19)23(28)29/h3-14H,2H2,1H3,(H,25,27)(H,28,29)/b18-14+