3-[2-[(E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]pyrrol-1-yl]benzoate Formula: C23H18N3O4- MolecularWeight: 400.40672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C23H19N3O4/c1-2-30-21-10-4-7-18(14-21)25-22(27)17(15-24)13-20-9-5-11-26(20)19-8-3-6-16(12-19)23(28)29/h3-14H,2H2,1H3,(H,25,27)(H,28,29)/p-1/b17-13+