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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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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)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O5/c26-21(24-17-9-5-2-6-10-17)15-30-22(27)19-13-18(25(28)29)11-12-20(19)23-14-16-7-3-1-4-8-16/h1-13,23H,14-15H2,(H,24,26)