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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-phenyl]ethanone Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-11(19)12-3-6-17(14(9-12)18(20)21)24-13-4-5-15-16(10-13)23-8-2-7-22-15/h3-6,9-10H,2,7-8H2,1H3