[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H13N3O3/c1-17(7-3-6-15)13(18)10-20-14(19)12-5-2-4-11(8-12)9-16/h2,4-5,8H,3,7,10H2,1H3