[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c24-18-7-4-10-22(18)19(25)13-29-20(26)16-11-15(23(27)28)8-9-17(16)21-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,21H,4,7,10,12-13H2