N-cyclohexyl-N-methyl-4-[4-nitro-3-(1-oxidanylbutyl)phenoxy]butanamide

Systemtic Name: N-cyclohexyl-N-methyl-4-[4-nitro-3-(1-oxidanylbutyl)phenoxy]butanamide Openeye Name: N-cyclohexyl-4-[3-(1-hydroxybutyl)-4-nitro-phenoxy]-N-methyl-butanamide CAS Name: N-cyclohexyl-4-[3-(1-hydroxybutyl)-4-nitrophenoxy]-N-methylbutanamide IUPAC Name: N-cyclohexyl-4-[3-(1-hydroxybutyl)-4-nitrophenoxy]-N-methylbutanamide Traditional Name: N-cyclohexyl-4-[3-(1-hydroxybutyl)-4-nitro-phenoxy]-N-methyl-butyramide Formula: C21H32N2O5 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)OCCCC(=O)N(C)C2CCCCC2)[N+](=O)[O-])O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)OCCCC(=O)N(C)C2CCCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C21H32N2O5/c1-3-8-20(24)18-15-17(12-13-19(18)23(26)27)28-14-7-11-21(25)22(2)16-9-5-4-6-10-16/h12-13,15-16,20,24H,3-11,14H2,1-2H3