1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-(3-carboxyphenyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid Formula: C23H14Cl2N2O4 MolecularWeight: 453.27426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14Cl2N2O4/c24-16-8-9-18(19(25)11-16)13-4-6-14(7-5-13)21-12-20(23(30)31)26-27(21)17-3-1-2-15(10-17)22(28)29/h1-12H,(H,28,29)(H,30,31)