1-(4-fluorophenyl)ethyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: 1-(4-fluorophenyl)ethyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: 1-(4-fluorophenyl)ethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 1-(4-fluorophenyl)ethyl ester IUPAC Name: 1-(4-fluorophenyl)ethyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid 1-(4-fluorophenyl)ethyl ester Formula: C16H14FNO4S MolecularWeight: 335.350063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H14FNO4S/c1-10(11-3-6-13(17)7-4-11)22-16(19)12-5-8-15(23-2)14(9-12)18(20)21/h3-10H,1-2H3