[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-10-4-5-11(2)12(8-10)14(18)19-9-13(17)16-7-3-6-15/h4-5,8H,3,7,9H2,1-2H3,(H,16,17)