[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-10-4-2-5-11(8-10)13(17)18-9-12(16)15-7-3-6-14/h2,4-5,8H,3,7,9H2,1H3,(H,15,16)