5-oxidanidyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: 5-oxidanidyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylate Openeye Name: 1-(4-isopropylphenyl)-5-oxido-1,2,4-triazole-3-carboxylate CAS Name: 5-oxido-1-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylate IUPAC Name: 5-oxido-1-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 5-oxido-1-p-cumenyl-1,2,4-triazole-3-carboxylate Formula: C12H11N3O3-2 MolecularWeight: 245.23404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)[O-])[O-]

InChI

InChI=1S/C12H13N3O3/c1-7(2)8-3-5-9(6-4-8)15-12(18)13-10(14-15)11(16)17/h3-7H,1-2H3,(H,16,17)(H,13,14,18)/p-2