(2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5/c17-15(20)10-24-16(21)13-8-12(19(22)23)6-7-14(13)18-9-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H2,17,20)