(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-amino-2-keto-1-phenyl-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)C(=O)OC(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c23-21(26)20(16-9-5-2-6-10-16)30-22(27)17-11-12-18(19(13-17)25(28)29)24-14-15-7-3-1-4-8-15/h1-13,20,24H,14H2,(H2,23,26)