4-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)benzoic acid

Systemtic Name: 4-(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)benzoic acid Openeye Name: 4-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)benzoic acid CAS Name: 4-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)benzoic acid IUPAC Name: 4-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)benzoic acid Traditional Name: 4-(4-methyl-5-oxido-furazan-5-ium-3-yl)benzoic acid Formula: C10H8N2O4 MolecularWeight: 220.18152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C2=CC=C(C=C2)C(=O)O)[O-]

Isomeric SMILES

CC1=[N+](ON=C1C2=CC=C(C=C2)C(=O)O)[O-]

InChI

InChI=1S/C10H8N2O4/c1-6-9(11-16-12(6)15)7-2-4-8(5-3-7)10(13)14/h2-5H,1H3,(H,13,14)