3-[3,5-bis(chloranyl)phenyl]-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C23H16Cl2N2O3 MolecularWeight: 439.29074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC(=C3)Cl)Cl)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC(=C3)Cl)Cl)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H16Cl2N2O3/c1-30-19-9-7-18(8-10-19)27-22(14-5-3-2-4-6-14)20(23(28)29)21(26-27)15-11-16(24)13-17(25)12-15/h2-13H,1H3,(H,28,29)