methyl 5-cyano-2-(dimethoxymethyl)-6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(dimethoxymethyl)-6-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-(dimethoxymethyl)-6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-(dimethoxymethyl)-6-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]nicotinic acid methyl ester Formula: C18H13F3N4O8S MolecularWeight: 502.37803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C#N)C(=O)OC)OC

Isomeric SMILES

COC(C1=C(C=C(C(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C#N)C(=O)OC)OC

InChI

InChI=1S/C18H13F3N4O8S/c1-31-16(26)10-4-8(7-22)15(23-13(10)17(32-2)33-3)34-14-11(24(27)28)5-9(18(19,20)21)6-12(14)25(29)30/h4-6,17H,1-3H3