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

Systemtic Name: 1-(4-carboxy-2-methoxy-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-carboxy-2-methoxy-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-carboxy-2-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-carboxy-2-methoxyphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-carboxy-2-methoxy-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-27-15-5-4-6-16(28-2)18(15)14-10-12(20(25)26)21-22(14)13-8-7-11(19(23)24)9-17(13)29-3/h4-10H,1-3H3,(H,23,24)(H,25,26)