2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C17H15FN2O5S MolecularWeight: 378.374803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC1

InChI

InChI=1S/C17H15FN2O5S/c18-13-4-2-11(8-14(13)20(22)23)19-17(21)10-26-12-3-5-15-16(9-12)25-7-1-6-24-15/h2-5,8-9H,1,6-7,10H2,(H,19,21)