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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-12-8-15(21(23)24)17(25-2)10-14(12)20-19(22)11-28-13-4-5-16-18(9-13)27-7-3-6-26-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,20,22)