[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(=O)NC)[N+](=O)[O-]

InChI

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