1-(5-nitro-1,3-benzodioxol-4-yl)ethanone

Systemtic Name: 1-(5-nitro-1,3-benzodioxol-4-yl)ethanone Openeye Name: 1-(5-nitro-1,3-benzodioxol-4-yl)ethanone CAS Name: 1-(5-nitro-1,3-benzodioxol-4-yl)ethanone IUPAC Name: 1-(5-nitro-1,3-benzodioxol-4-yl)ethanone Traditional Name: 1-(5-nitro-1,3-benzodioxol-4-yl)ethanone Formula: C9H7NO5 MolecularWeight: 209.15558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC2=C1OCO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=CC2=C1OCO2)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO5/c1-5(11)8-6(10(12)13)2-3-7-9(8)15-4-14-7/h2-3H,4H2,1H3