4-(4-azanyl-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)benzoic acid

Systemtic Name: 4-(4-azanyl-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)benzoic acid Openeye Name: 4-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)benzoic acid CAS Name: 4-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 4-(4-amino-3-methyl-5-oxo-1,2,4-triazol-1-yl)benzoic acid Traditional Name: 4-(4-amino-5-keto-3-methyl-1,2,4-triazol-1-yl)benzoic acid Formula: C10H10N4O3 MolecularWeight: 234.2114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)N1N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H10N4O3/c1-6-12-14(10(17)13(6)11)8-4-2-7(3-5-8)9(15)16/h2-5H,11H2,1H3,(H,15,16)