1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-3,5-dimethyl-4-nitro-pyrazole Formula: C12H11BrFN3O2 MolecularWeight: 328.137043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C12H11BrFN3O2/c1-7-12(17(18)19)8(2)16(15-7)6-9-3-4-10(14)5-11(9)13/h3-5H,6H2,1-2H3