(4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-bromo-3-nitro-phenyl)methylene]-2-(3,4-dichlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-bromo-3-nitro-benzylidene)-2-(3,4-dichlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C17H10BrCl2N3O3 MolecularWeight: 455.0896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H10BrCl2N3O3/c1-9-12(6-10-2-4-13(18)16(7-10)23(25)26)17(24)22(21-9)11-3-5-14(19)15(20)8-11/h2-8H,1H3/b12-6+