[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C12H13N3O8/c1-21-8-3-6(7(15(19)20)4-9(8)22-2)11(17)23-5-10(16)14-12(13)18/h3-4H,5H2,1-2H3,(H3,13,14,16,18)