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

Systemtic Name: 4-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-(5-bromo-2-hydroxy-benzoyl)-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-(5-bromo-2-hydroxybenzoyl)-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-(5-bromo-2-hydroxy-benzoyl)-5-methyl-2-(3-nitrophenyl)-3-pyrazolin-3-one Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H12BrN3O5/c1-9-15(16(23)13-7-10(18)5-6-14(13)22)17(24)20(19-9)11-3-2-4-12(8-11)21(25)26/h2-8,19,22H,1H3