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

Systemtic Name: 1-(2,6-dimethyl-3-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,6-dimethyl-3-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(2,6-dimethyl-3-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(2,6-dimethyl-3-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(2,6-dimethyl-3-nitro-phenyl)triazole-4-carboxylic acid Formula: C11H10N4O4 MolecularWeight: 262.2215

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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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4/c1-6-3-4-9(15(18)19)7(2)10(6)14-5-8(11(16)17)12-13-14/h3-5H,1-2H3,(H,16,17)