2-oxidanylidenepropyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: acetonyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid acetonyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-9(16)8-19-13(18)10-2-4-11(5-3-10)15-12(17)6-7-14/h2-5H,6,8H2,1H3,(H,15,17)