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

Systemtic Name: (4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-bromo-3-nitro-phenyl)methylene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-bromo-3-nitro-benzylidene)-2-(3-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C17H11BrClN3O3 MolecularWeight: 420.64454

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrClN3O3/c1-10-14(7-11-5-6-15(18)16(8-11)22(24)25)17(23)21(20-10)13-4-2-3-12(19)9-13/h2-9H,1H3/b14-7+