cyanomethyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: cyanomethyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: cyanomethyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid cyanomethyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C16H13N3O4/c17-8-9-23-16(20)14-10-13(19(21)22)6-7-15(14)18-11-12-4-2-1-3-5-12/h1-7,10,18H,9,11H2