4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one

Systemtic Name: 4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one Openeye Name: 4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one CAS Name: 4-(6-nitro-1,3-benzodioxol-5-yl)-2-butanone IUPAC Name: 4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one Traditional Name: 4-(6-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=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)CCC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

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