(4E)-2-(3-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3-bromophenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-5-methyl-4-(4-nitrobenzylidene)-2-pyrazolin-3-one Formula: C17H12BrN3O3 MolecularWeight: 386.19948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3/c1-11-16(9-12-5-7-14(8-6-12)21(23)24)17(22)20(19-11)15-4-2-3-13(18)10-15/h2-10H,1H3/b16-9+