[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-16(8-2-7-14)12(17)9-19-13(18)10-3-5-11(15)6-4-10/h3-6H,2,8-9,15H2,1H3