(4-methyl-3-nitro-phenyl) N-[6,6,6-tris(fluoranyl)hexyl]carbamate

Systemtic Name: (4-methyl-3-nitro-phenyl) N-[6,6,6-tris(fluoranyl)hexyl]carbamate Openeye Name: (4-methyl-3-nitro-phenyl) N-(6,6,6-trifluorohexyl)carbamate CAS Name: N-(6,6,6-trifluorohexyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) N-(6,6,6-trifluorohexyl)carbamate Traditional Name: N-(6,6,6-trifluorohexyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C14H17F3N2O4 MolecularWeight: 334.29099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)NCCCCCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)NCCCCCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N2O4/c1-10-5-6-11(9-12(10)19(21)22)23-13(20)18-8-4-2-3-7-14(15,16)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)