N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-bis(fluoranyl)-5-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-bis(fluoranyl)-5-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-difluoro-5-nitro-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-difluoro-5-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,4-difluoro-5-nitroaniline Traditional Name: (2,4-difluoro-5-nitro-phenyl)-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine Formula: C12H12F2N4O2 MolecularWeight: 282.246086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F2N4O2/c1-6-8(7(2)17-16-6)5-15-11-4-12(18(19)20)10(14)3-9(11)13/h3-4,15H,5H2,1-2H3,(H,16,17)