5-(2,4-dimethoxyphenyl)-4-nitro-6-sulfanyl-hexanamide

Systemtic Name: 5-(2,4-dimethoxyphenyl)-4-nitro-6-sulfanyl-hexanamide Openeye Name: 5-(2,4-dimethoxyphenyl)-4-nitro-6-sulfanyl-hexanamide CAS Name: 5-(2,4-dimethoxyphenyl)-6-mercapto-4-nitrohexanamide IUPAC Name: 5-(2,4-dimethoxyphenyl)-4-nitro-6-sulfanylhexanamide Traditional Name: 5-(2,4-dimethoxyphenyl)-6-mercapto-4-nitro-hexanamide Formula: C14H20N2O5S MolecularWeight: 328.384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(CS)C(CCC(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(CS)C(CCC(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C14H20N2O5S/c1-20-9-3-4-10(13(7-9)21-2)11(8-22)12(16(18)19)5-6-14(15)17/h3-4,7,11-12,22H,5-6,8H2,1-2H3,(H2,15,17)