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

Systemtic Name: 4,5-bis(chloranyl)-6-(2-pyridin-2-ylpyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 4,5-dichloro-6-[2-(2-pyridyl)pyrazole-3-carbonyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 4,5-dichloro-6-[oxo-[2-(2-pyridinyl)-3-pyrazolyl]methyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 4,5-dichloro-6-(2-pyridin-2-ylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 4,5-dichloro-6-[2-(2-pyridyl)pyrazole-3-carbonyl]-1,3-benzodioxole-2-carboxylic acid Formula: C17H9Cl2N3O5 MolecularWeight: 406.17646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(=CC=N2)C(=O)C3=CC4=C(C(=C3Cl)Cl)OC(O4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C(=CC=N2)C(=O)C3=CC4=C(C(=C3Cl)Cl)OC(O4)C(=O)O

InChI

InChI=1S/C17H9Cl2N3O5/c18-12-8(7-10-15(13(12)19)27-17(26-10)16(24)25)14(23)9-4-6-21-22(9)11-3-1-2-5-20-11/h1-7,17H,(H,24,25)