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

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCNC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N2CCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-8-3-4-10(7-11(8)17(21)22)13(19)23-9(2)12(18)16-6-5-15-14(16)20/h3-4,7,9H,5-6H2,1-2H3,(H,15,20)/t9-/m1/s1