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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-nitrophenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-nitrophenyl)acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c20-17(18-12-3-1-4-13(9-12)19(21)22)11-25-14-5-6-15-16(10-14)24-8-2-7-23-15/h1,3-6,9-10H,2,7-8,11H2,(H,18,20)