[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

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