4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butan-2-one Openeye Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butan-2-one CAS Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butan-2-one Traditional Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butan-2-one Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H19NO6/c1-13(21)2-3-14-4-6-18(7-5-14)25-11-16-9-17(20(22)23)8-15-10-24-12-26-19(15)16/h4-9H,2-3,10-12H2,1H3