1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid

Systemtic Name: 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid Openeye Name: 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid CAS Name: 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid IUPAC Name: 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid Traditional Name: 1-(4-butylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-2-3-7-14-10-12-16(13-11-14)23-19(15-8-5-4-6-9-15)17(20(24)25)18(22-23)21(26)27/h4-6,8-13H,2-3,7H2,1H3,(H,24,25)(H,26,27)