[(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-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(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)N2CCNC2=O

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-8-4-3-5-10(17(21)22)11(8)13(19)23-9(2)12(18)16-7-6-15-14(16)20/h3-5,9H,6-7H2,1-2H3,(H,15,20)/t9-/m0/s1