1-(3-carboxy-4-chloranyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-carboxy-4-chloranyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(3-carboxy-4-chloro-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3-carboxy-4-chloro-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15ClN2O6/c1-27-15-4-3-5-16(28-2)17(15)14-9-13(19(25)26)21-22(14)10-6-7-12(20)11(8-10)18(23)24/h3-9H,1-2H3,(H,23,24)(H,25,26)