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

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [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=CC=C1[N+](=O)[O-]

Isomeric SMILES

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

InChI

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