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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c19-10-12-8-13(21(23)24)2-4-15(12)20-18(22)11-27-14-3-5-16-17(9-14)26-7-1-6-25-16/h2-5,8-9H,1,6-7,11H2,(H,20,22)