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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(N=NN2CC3=CC=C(C=C3)OC)C(=O)O)[N+](=O)[O-]

InChI

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