[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(methylamino)benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H17N3O3/c1-20-16-5-3-2-4-15(16)18(23)24-12-17(22)21-14-8-6-13(7-9-14)10-11-19/h2-9,20H,10,12H2,1H3,(H,21,22)