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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c18-13-4-2-11(8-14(13)20(22)23)19-17(21)10-26-12-3-5-15-16(9-12)25-7-1-6-24-15/h2-5,8-9H,1,6-7,10H2,(H,19,21)