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

Systemtic Name: 3-[3-[(Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[3-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[3-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(Z)-2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C26H24N3O4- MolecularWeight: 442.48646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3C)C(=O)[O-])C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC(=C3C)C(=O)[O-])C)/C#N

InChI

InChI=1S/C26H25N3O4/c1-5-33-22-9-6-8-21(14-22)28-25(30)20(15-27)13-19-12-16(2)29(18(19)4)24-11-7-10-23(17(24)3)26(31)32/h6-14H,5H2,1-4H3,(H,28,30)(H,31,32)/p-1/b20-13-