(4-methyl-3-nitro-phenyl) N-[7,7,7-tris(fluoranyl)heptyl]carbamate

Systemtic Name: (4-methyl-3-nitro-phenyl) N-[7,7,7-tris(fluoranyl)heptyl]carbamate Openeye Name: (4-methyl-3-nitro-phenyl) N-(7,7,7-trifluoroheptyl)carbamate CAS Name: N-(7,7,7-trifluoroheptyl)carbamic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) N-(7,7,7-trifluoroheptyl)carbamate Traditional Name: N-(7,7,7-trifluoroheptyl)carbamic acid (4-methyl-3-nitro-phenyl) ester Formula: C15H19F3N2O4 MolecularWeight: 348.31757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F3N2O4/c1-11-6-7-12(10-13(11)20(22)23)24-14(21)19-9-5-3-2-4-8-15(16,17)18/h6-7,10H,2-5,8-9H2,1H3,(H,19,21)