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

Systemtic Name: 3-[3-[2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C25H22N3O4- MolecularWeight: 428.45988

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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)[O-])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)[O-])C)C#N

InChI

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