2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C19H17F3N2O5S MolecularWeight: 442.40889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H17F3N2O5S/c1-11(30-13-4-6-16-17(10-13)29-8-2-7-28-16)18(25)23-15-5-3-12(24(26)27)9-14(15)19(20,21)22/h3-6,9-11H,2,7-8H2,1H3,(H,23,25)