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

Systemtic Name: 3-[3-[(E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 3-[3-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 3-[3-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(E)-2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C25H22N3O4- MolecularWeight: 428.45988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23N3O4/c1-4-32-23-10-6-8-21(14-23)27-24(29)20(15-26)12-19-11-16(2)28(17(19)3)22-9-5-7-18(13-22)25(30)31/h5-14H,4H2,1-3H3,(H,27,29)(H,30,31)/p-1/b20-12+