4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-one

Systemtic Name: 4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-one Openeye Name: 4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-one CAS Name: 4-(7-nitro-1,3-benzodioxol-5-yl)-2-butanone IUPAC Name: 4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-one Traditional Name: 4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-one Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC(=C2C(=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC(=C2C(=C1)OCO2)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-7(13)2-3-8-4-9(12(14)15)11-10(5-8)16-6-17-11/h4-5H,2-3,6H2,1H3