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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5/c24-19(22-10-4-5-11-22)14-28-20(25)17-12-16(23(26)27)8-9-18(17)21-13-15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11,13-14H2