cyanomethyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: cyanomethyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: cyanomethyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-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)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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