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

Systemtic Name: 4,5-bis(chloranyl)-6-(4-chloranyl-2-methyl-pyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 4,5-dichloro-6-(4-chloro-2-methyl-pyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 4,5-dichloro-6-[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 4,5-dichloro-6-(4-chloro-2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 4,5-dichloro-6-(4-chloro-2-methyl-pyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid Formula: C13H7Cl3N2O5 MolecularWeight: 377.56408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7Cl3N2O5/c1-18-9(5(14)3-17-18)10(19)4-2-6-11(8(16)7(4)15)23-13(22-6)12(20)21/h2-3,13H,1H3,(H,20,21)