1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one

Systemtic Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one Openeye Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one CAS Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-butanone IUPAC Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one Traditional Name: 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OCCO2

Isomeric SMILES

CCCC(=O)C1=CC2=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OCCO2

InChI

InChI=1S/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3