(3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C16H18N2O4/c1-16(2,3)13(19)10-22-15(21)11-4-6-12(7-5-11)18-14(20)8-9-17/h4-7H,8,10H2,1-3H3,(H,18,20)