methyl 2-(2-cyanopropan-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 2-(2-cyanopropan-2-ylcarbamoyl)benzoate Openeye Name: methyl 2-[(1-cyano-1-methyl-ethyl)carbamoyl]benzoate CAS Name: 2-[(2-cyanopropan-2-ylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-cyanopropan-2-ylcarbamoyl)benzoate Traditional Name: 2-[(1-cyano-1-methyl-ethyl)carbamoyl]benzoic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)C1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(C)(C#N)NC(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H14N2O3/c1-13(2,8-14)15-11(16)9-6-4-5-7-10(9)12(17)18-3/h4-7H,1-3H3,(H,15,16)