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

Systemtic Name: (4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-bromo-3-nitro-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-bromo-3-nitro-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H12BrN3O3 MolecularWeight: 386.19948

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3/c1-11-14(9-12-7-8-15(18)16(10-12)21(23)24)17(22)20(19-11)13-5-3-2-4-6-13/h2-10H,1H3/b14-9+