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

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2R)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O6/c1-8(12(19)17-6-5-16-14(17)21)24-13(20)9-3-4-10(15-2)11(7-9)18(22)23/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,21)/t8-/m1/s1