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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCNC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6/c1-14-9-3-2-8(6-10(9)17(21)22)12(19)23-7-11(18)16-5-4-15-13(16)20/h2-3,6,14H,4-5,7H2,1H3,(H,15,20)