5-ethyl-3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-(4-methoxycarbonylphenyl)-1-(m-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(4-methoxycarbonylphenyl)-1-(3-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-(4-carbomethoxyphenyl)-5-ethyl-1-(m-tolyl)pyrazole-4-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-4-17-18(20(24)25)19(14-8-10-15(11-9-14)21(26)27-3)22-23(17)16-7-5-6-13(2)12-16/h5-12H,4H2,1-3H3,(H,24,25)