[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-7(10(16)14-12(18)13-2)21-11(17)8-3-5-9(6-4-8)15(19)20/h3-7H,1-2H3,(H2,13,14,16,18)/t7-/m1/s1