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

Systemtic Name: methyl 3-[3-[2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[2-cyano-3-keto-3-(p-phenetidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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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=CC(=C3)C(=O)OC)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4/c1-5-33-24-11-9-22(10-12-24)28-25(30)21(16-27)14-20-13-17(2)29(18(20)3)23-8-6-7-19(15-23)26(31)32-4/h6-15H,5H2,1-4H3,(H,28,30)