[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O3 MolecularWeight: 322.35782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O3/c1-14-8-9-15(2)17(12-14)19(23)24-13-18(22)21(11-10-20)16-6-4-3-5-7-16/h3-9,12H,11,13H2,1-2H3