4-[1,2-bis(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-pyrazol-4-yl]carbonylbenzoic acid

Systemtic Name: 4-[1,2-bis(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-pyrazol-4-yl]carbonylbenzoic acid Openeye Name: 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-pyrazole-4-carbonyl]benzoic acid CAS Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-4-pyrazolyl]-oxomethyl]benzoic acid IUPAC Name: 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxopyrazole-4-carbonyl]benzoic acid Traditional Name: 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-keto-3-pyrazoline-4-carbonyl]benzoic acid Formula: C23H14Cl2N2O5 MolecularWeight: 469.27366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H14Cl2N2O5/c24-15-5-9-17(10-6-15)26-21(29)19(20(28)13-1-3-14(4-2-13)23(31)32)22(30)27(26)18-11-7-16(25)8-12-18/h1-12,29H,(H,31,32)