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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N)NC(=O)CC#N

InChI

InChI=1S/C12H11N3O4/c13-6-5-11(17)15-9-3-1-8(2-4-9)12(18)19-7-10(14)16/h1-4H,5,7H2,(H2,14,16)(H,15,17)