methyl 2,6-bis(chloranyl)-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]benzoate

Systemtic Name: methyl 2,6-bis(chloranyl)-3-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]benzoate Openeye Name: methyl 2,6-dichloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)benzoate CAS Name: 2,6-dichloro-3-[(2-methyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2,6-dichloro-3-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)benzoate Traditional Name: 2,6-dichloro-3-(5-keto-1-methyl-3-pyrazoline-4-carbonyl)benzoic acid methyl ester Formula: C13H10Cl2N2O4 MolecularWeight: 329.1355

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)OC)Cl

InChI

InChI=1S/C13H10Cl2N2O4/c1-17-12(19)7(5-16-17)11(18)6-3-4-8(14)9(10(6)15)13(20)21-2/h3-5,16H,1-2H3