3-[(4-methoxyphenyl)methyl]-5-(2-methyl-6-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-(2-methyl-6-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-(2-methyl-6-nitro-benzoyl)triazole-4-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-5-[(2-methyl-6-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-(2-methyl-6-nitrobenzoyl)triazole-4-carboxylic acid Traditional Name: 5-(2-methyl-6-nitro-benzoyl)-3-p-anisyl-triazole-4-carboxylic acid Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C19H16N4O6/c1-11-4-3-5-14(23(27)28)15(11)18(24)16-17(19(25)26)22(21-20-16)10-12-6-8-13(29-2)9-7-12/h3-9H,10H2,1-2H3,(H,25,26)