4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(5-bromo-2-hydroxy-benzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(5-bromo-2-hydroxybenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(5-bromo-2-hydroxy-benzoyl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H13BrN2O3/c1-10-15(16(22)13-9-11(18)7-8-14(13)21)17(23)20(19-10)12-5-3-2-4-6-12/h2-9,19,21H,1H3