4-[3-[2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[2-cyano-3-keto-3-(p-phenetidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)C#N

InChI

InChI=1S/C25H23N3O4/c1-4-32-23-11-7-21(8-12-23)27-24(29)20(15-26)14-19-13-16(2)28(17(19)3)22-9-5-18(6-10-22)25(30)31/h5-14H,4H2,1-3H3,(H,27,29)(H,30,31)