[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3 MolecularWeight: 322.35782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C19H18N2O3/c1-12-7-8-16(9-13(12)2)19(23)24-14(3)18(22)21-17-6-4-5-15(10-17)11-20/h4-10,14H,1-3H3,(H,21,22)