[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)13-7-5-12(6-8-13)15(20)21-11-14(19)18-10-4-9-17/h5-8H,4,10-11H2,1-3H3,(H,18,19)