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

Systemtic Name: 1-(5-carboxy-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(5-carboxy-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(5-carboxy-2-methylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(5-carboxy-2-methylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(5-carboxy-2-methyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C20H18N2O6/c1-11-7-8-12(19(23)24)9-14(11)22-15(10-13(21-22)20(25)26)18-16(27-2)5-4-6-17(18)28-3/h4-10H,1-3H3,(H,23,24)(H,25,26)