N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H15N3O6S MolecularWeight: 377.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-])[N+](=O)[O-])OC1

InChI

InChI=1S/C16H15N3O6S/c20-15(10-26-16-4-1-2-5-18(16)21)17-11-8-13-14(9-12(11)19(22)23)25-7-3-6-24-13/h1-2,4-5,8-9H,3,6-7,10H2,(H,17,20)