5-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C13H11N3O5/c1-16-9(13(18)19)5-8(15-16)12(17)14-7-2-3-10-11(4-7)21-6-20-10/h2-5H,6H2,1H3,(H,14,17)(H,18,19)