(2-nitrophenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-nitrophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-nitrobenzyl) ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c18-10-9-16(21)19-14-7-5-12(6-8-14)17(22)25-11-13-3-1-2-4-15(13)20(23)24/h1-8H,9,11H2,(H,19,21)