N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]ethanamide

Systemtic Name: N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]acetamide IUPAC Name: N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]phenyl]acetamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H16N2O5S/c1-11(20)18-14-2-4-16(5-3-14)25-9-13-7-15(19(21)22)6-12-8-23-10-24-17(12)13/h2-7H,8-10H2,1H3,(H,18,20)