[1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-azanyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

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