N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(1,2-dithiolan-3-yl)pentanamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(dithiolan-3-yl)valeramide Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCCCC2CCSS2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCCCC2CCSS2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H26N2O5S2/c1-24-16-11-13(15(20(22)23)12-17(16)25-2)7-9-19-18(21)6-4-3-5-14-8-10-26-27-14/h11-12,14H,3-10H2,1-2H3,(H,19,21)