N-heptan-2-yl-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-heptan-2-yl-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(1-methylhexyl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-heptan-2-yl-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-heptan-2-yl-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 1-methylhexyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C14H19F3N2O2 MolecularWeight: 304.30807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H19F3N2O2/c1-3-4-5-6-10(2)18-12-8-7-11(14(15,16)17)9-13(12)19(20)21/h7-10,18H,3-6H2,1-2H3