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

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-(4-methoxy-3-nitro-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O4/c1-11-15(9-12-3-8-17(26-2)16(10-12)22(24)25)18(23)21(20-11)14-6-4-13(19)5-7-14/h3-10H,1-2H3/b15-9+