1-(2,6-dimethyl-3-nitro-phenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2,6-dimethyl-3-nitro-phenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,6-dimethyl-3-nitro-phenyl)-5-methyl-triazole-4-carboxylic acid CAS Name: 1-(2,6-dimethyl-3-nitrophenyl)-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-(2,6-dimethyl-3-nitrophenyl)-5-methyltriazole-4-carboxylic acid Traditional Name: 1-(2,6-dimethyl-3-nitro-phenyl)-5-methyl-triazole-4-carboxylic acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C(=C(N=N2)C(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C(=C(N=N2)C(=O)O)C

InChI

InChI=1S/C12H12N4O4/c1-6-4-5-9(16(19)20)7(2)11(6)15-8(3)10(12(17)18)13-14-15/h4-5H,1-3H3,(H,17,18)