[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C21H21N3O6/c1-22(2)18-9-8-16(24(28)29)12-17(18)21(27)30-13-19(25)14-5-3-6-15(11-14)23-10-4-7-20(23)26/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3