(2-butoxy-2-oxidanylidene-ethyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-butoxy-2-oxo-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-2-3-10-22-15(20)11-23-16(21)12-4-6-13(7-5-12)18-14(19)8-9-17/h4-7H,2-3,8,10-11H2,1H3,(H,18,19)