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

Systemtic Name: 1-(4-carboxy-2,3-dimethyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-carboxy-2,3-dimethyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-carboxy-2,3-dimethylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-carboxy-2,3-dimethylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-carboxy-2,3-dimethyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-11-12(2)15(9-8-13(11)20(24)25)23-16(10-14(22-23)21(26)27)19-17(28-3)6-5-7-18(19)29-4/h5-10H,1-4H3,(H,24,25)(H,26,27)