ethyl 5-(4-bromophenyl)-5-oxidanyl-1-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-5-oxidanyl-1-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-5-hydroxy-1-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-5-hydroxy-1-[oxo-(4-phenylphenyl)methyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-5-hydroxy-1-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-5-hydroxy-1-(4-phenylbenzoyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O4/c1-2-32-24(30)22-16-25(31,20-12-14-21(26)15-13-20)28(27-22)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,31H,2,16H2,1H3