dimethyl 3-[3,6-bis(chloranyl)pyridin-2-yl]carbonyl-1H-pyrazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-[3,6-bis(chloranyl)pyridin-2-yl]carbonyl-1H-pyrazole-4,5-dicarboxylate Openeye Name: dimethyl 3-(3,6-dichloropyridine-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate CAS Name: 3-[(3,6-dichloro-2-pyridinyl)-oxomethyl]-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(3,6-dichloropyridine-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate Traditional Name: 3-(3,6-dichloropicolinoyl)-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H9Cl2N3O5 MolecularWeight: 358.13366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C(=O)C2=C(C=CC(=N2)Cl)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NN=C1C(=O)C2=C(C=CC(=N2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C13H9Cl2N3O5/c1-22-12(20)7-9(17-18-10(7)13(21)23-2)11(19)8-5(14)3-4-6(15)16-8/h3-4H,1-2H3,(H,17,18)