N-[(5-fluoranyl-2-nitro-phenyl)methyl]pentan-3-amine

Systemtic Name: N-[(5-fluoranyl-2-nitro-phenyl)methyl]pentan-3-amine Openeye Name: N-[(5-fluoro-2-nitro-phenyl)methyl]pentan-3-amine CAS Name: N-[(5-fluoro-2-nitrophenyl)methyl]-3-pentanamine IUPAC Name: N-[(5-fluoro-2-nitrophenyl)methyl]pentan-3-amine Traditional Name: 1-ethylpropyl-(5-fluoro-2-nitro-benzyl)amine Formula: C12H17FN2O2 MolecularWeight: 240.273983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H17FN2O2/c1-3-11(4-2)14-8-9-7-10(13)5-6-12(9)15(16)17/h5-7,11,14H,3-4,8H2,1-2H3