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

Systemtic Name: 5-(4,5-dimethyl-2-nitro-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(4,5-dimethyl-2-nitro-benzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid CAS Name: 5-[(4,5-dimethyl-2-nitrophenyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid IUPAC Name: 5-(4,5-dimethyl-2-nitrobenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid Traditional Name: 5-(4,5-dimethyl-2-nitro-benzoyl)-1-p-anisyl-triazole-4-carboxylic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-11-8-15(16(24(28)29)9-12(11)2)19(25)18-17(20(26)27)21-22-23(18)10-13-4-6-14(30-3)7-5-13/h4-9H,10H2,1-3H3,(H,26,27)