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

Systemtic Name: 4-[[1,2-bis(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxopyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-keto-3-pyrazoline-4-carbonyl]amino]benzoic acid Formula: C23H15Cl2N3O5 MolecularWeight: 484.2883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15Cl2N3O5/c24-14-3-9-17(10-4-14)27-21(30)19(22(31)28(27)18-11-5-15(25)6-12-18)20(29)26-16-7-1-13(2-8-16)23(32)33/h1-12,30H,(H,26,29)(H,32,33)