4-[(E)-2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(2,5-dimethylanilino)-3-keto-prop-1-enyl]benzoate Formula: C19H15N2O3- MolecularWeight: 319.334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C19H16N2O3/c1-12-3-4-13(2)17(9-12)21-18(22)16(11-20)10-14-5-7-15(8-6-14)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/p-1/b16-10+