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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitro-benzoyl)triazole-4-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-5-[(3-methyl-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-(3-methyl-2-nitrobenzoyl)triazole-4-carboxylic acid Traditional Name: 5-(3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=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(16(11)23(27)28)18(24)15-17(19(25)26)22(21-20-15)10-12-6-8-13(29-2)9-7-12/h3-9H,10H2,1-2H3,(H,25,26)