5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(phenylcarbonyloxymethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(phenylcarbonyloxymethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid CAS Name: 2-(benzoyloxymethyl)-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid IUPAC Name: 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylic acid Traditional Name: 2-(benzoyloxymethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid Formula: C20H16N4O9 MolecularWeight: 456.36244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)C2=NN(N=C2C(=O)O)COC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)C2=NN(N=C2C(=O)O)COC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H16N4O9/c1-31-14-8-12(13(24(29)30)9-15(14)32-2)18(25)16-17(19(26)27)22-23(21-16)10-33-20(28)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,26,27)