(4,5-dimethoxy-2-nitro-phenyl)carbonyl 2H-1,2,3-triazole-4-carboxylate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)carbonyl 2H-1,2,3-triazole-4-carboxylate Openeye Name: (4,5-dimethoxy-2-nitro-benzoyl) 2H-triazole-4-carboxylate CAS Name: 2H-triazole-4-carboxylic acid [(4,5-dimethoxy-2-nitrophenyl)-oxomethyl] ester IUPAC Name: (4,5-dimethoxy-2-nitrobenzoyl) 2H-triazole-4-carboxylate Traditional Name: 2H-triazole-4-carboxylic acid (4,5-dimethoxy-2-nitro-benzoyl) ester Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC(=O)C2=NNN=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC(=O)C2=NNN=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C12H10N4O7/c1-21-9-3-6(8(16(19)20)4-10(9)22-2)11(17)23-12(18)7-5-13-15-14-7/h3-5H,1-2H3,(H,13,14,15)