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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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