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

Systemtic Name: ethyl 4-[1,2-bis(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-pyrazol-4-yl]carbonylbenzoate Openeye Name: ethyl 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-pyrazole-4-carbonyl]benzoate CAS Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-4-pyrazolyl]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxopyrazole-4-carbonyl]benzoate Traditional Name: 4-[1,2-bis(4-chlorophenyl)-3-hydroxy-5-keto-3-pyrazoline-4-carbonyl]benzoic acid ethyl ester Formula: C25H18Cl2N2O5 MolecularWeight: 497.32682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18Cl2N2O5/c1-2-34-25(33)16-5-3-15(4-6-16)22(30)21-23(31)28(19-11-7-17(26)8-12-19)29(24(21)32)20-13-9-18(27)10-14-20/h3-14,31H,2H2,1H3