4-chloranyl-5-(3,4-dimethoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-5-(3,4-dimethoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-chloro-5-(3,4-dimethoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-chloro-5-(3,4-dimethoxyphenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-chloro-5-(3,4-dimethoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=C(C=C2)OC)OC)Cl)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=C(C=C2)OC)OC)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O4/c1-16-12(13(17)18)10(14)11(15-16)7-4-5-8(19-2)9(6-7)20-3/h4-6H,1-3H3,(H,17,18)