2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-6-10(12(15)16)14-11(13-6)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H,13,14)(H,15,16)