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

Systemtic Name: ethyl 4-[[1,2-bis(4-chlorophenyl)-3-oxidanyl-5-oxidanylidene-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxopyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-keto-3-pyrazoline-4-carbonyl]amino]benzoic acid ethyl ester Formula: C25H19Cl2N3O5 MolecularWeight: 512.34146

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H19Cl2N3O5/c1-2-35-25(34)15-3-9-18(10-4-15)28-22(31)21-23(32)29(19-11-5-16(26)6-12-19)30(24(21)33)20-13-7-17(27)8-14-20/h3-14,32H,2H2,1H3,(H,28,31)