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

Systemtic Name: 5-(4-methoxycarbonyl-2-nitro-phenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(4-methoxycarbonyl-2-nitro-benzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(4-methoxycarbonyl-2-nitrophenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(4-methoxycarbonyl-2-nitrobenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(4-carbomethoxy-2-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C20H16N4O8 MolecularWeight: 440.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O8/c1-31-13-6-3-11(4-7-13)10-23-17(19(26)27)16(21-22-23)18(25)14-8-5-12(20(28)32-2)9-15(14)24(29)30/h3-9H,10H2,1-2H3,(H,26,27)