2-methyl-5-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-methyl-5-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1H-benzimidazole-4-carboxylic acid Openeye Name: 5-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-methyl-1H-benzimidazole-4-carboxylic acid CAS Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1H-benzimidazole-4-carboxylic acid IUPAC Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1H-benzimidazole-4-carboxylic acid Traditional Name: 5-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-methyl-1H-benzimidazole-4-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=CC(=C2C(=O)O)C(C)(C)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C=CC(=C2C(=O)O)C(C)(C)C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-6-14-8-5-4-7(13(2,3)12(18)19)9(11(16)17)10(8)15-6/h4-5H,1-3H3,(H,14,15)(H,16,17)(H,18,19)