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

Systemtic Name: 5-cyclopropyl-1-(2-methyl-6-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2-methyl-6-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(2-methyl-6-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(2-methyl-6-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2-methyl-6-nitro-phenyl)triazole-4-carboxylic acid Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])N2C(=C(N=N2)C(=O)O)C3CC3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])N2C(=C(N=N2)C(=O)O)C3CC3

InChI

InChI=1S/C13H12N4O4/c1-7-3-2-4-9(17(20)21)11(7)16-12(8-5-6-8)10(13(18)19)14-15-16/h2-4,8H,5-6H2,1H3,(H,18,19)