[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6/c1-24-20-12-7-17(13-21(20)26(29)30)23(28)32-15-22(27)25-18-8-10-19(11-9-18)31-14-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H,25,27)