[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6/c21-14(19-8-5-17-16(19)23)10-26-15(22)11-3-4-12(13(9-11)20(24)25)18-6-1-2-7-18/h3-4,9H,1-2,5-8,10H2,(H,17,23)