5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(4,5-dimethoxy-2-nitrobenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)O

InChI

InChI=1S/C20H18N4O8/c1-30-12-6-4-11(5-7-12)10-23-18(20(26)27)17(21-22-23)19(25)13-8-15(31-2)16(32-3)9-14(13)24(28)29/h4-9H,10H2,1-3H3,(H,26,27)