(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-(3-nitrophenyl)methanone

Systemtic Name: (4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-(3-nitrophenyl)methanone Openeye Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-(3-nitrophenyl)methanone CAS Name: (4-bromo-3,5-dimethyl-1-pyrazolyl)-(3-nitrophenyl)methanone IUPAC Name: (4-bromo-3,5-dimethylpyrazol-1-yl)-(3-nitrophenyl)methanone Traditional Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-(3-nitrophenyl)methanone Formula: C12H10BrN3O3 MolecularWeight: 324.1301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C12H10BrN3O3/c1-7-11(13)8(2)15(14-7)12(17)9-4-3-5-10(6-9)16(18)19/h3-6H,1-2H3