1-(6-nitro-1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone CAS Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone Traditional Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone Formula: C9H7NO5 MolecularWeight: 209.15558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

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