N'-(4-methylsulfonyl-2-nitro-phenyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

Systemtic Name: N'-(4-methylsulfonyl-2-nitro-phenyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine Openeye Name: N'-(4-methylsulfonyl-2-nitro-phenyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine CAS Name: N'-(4-methylsulfonyl-2-nitrophenyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine IUPAC Name: N'-(4-methylsulfonyl-2-nitrophenyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine Traditional Name: 2-(4-mesyl-2-nitro-anilino)ethyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H15F3N4O6S MolecularWeight: 448.37371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15F3N4O6S/c1-30(28,29)11-3-5-13(15(9-11)23(26)27)21-7-6-20-12-4-2-10(16(17,18)19)8-14(12)22(24)25/h2-5,8-9,20-21H,6-7H2,1H3