4,5-bis(chloranyl)-6-(2-methylpyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 4,5-bis(chloranyl)-6-(2-methylpyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 4,5-dichloro-6-(2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 4,5-dichloro-6-[(2-methyl-3-pyrazolyl)-oxomethyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 4,5-dichloro-6-(2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 4,5-dichloro-6-(2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid Formula: C13H8Cl2N2O5 MolecularWeight: 343.11902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)C2=CC3=C(C(=C2Cl)Cl)OC(O3)C(=O)O

Isomeric SMILES

CN1C(=CC=N1)C(=O)C2=CC3=C(C(=C2Cl)Cl)OC(O3)C(=O)O

InChI

InChI=1S/C13H8Cl2N2O5/c1-17-6(2-3-16-17)10(18)5-4-7-11(9(15)8(5)14)22-13(21-7)12(19)20/h2-4,13H,1H3,(H,19,20)