[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-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=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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