1-(1-butan-2-yl-3,5-dinitro-6-oxidanyl-cyclohexa-2,4-dien-1-yl)ethanone

Systemtic Name: 1-(1-butan-2-yl-3,5-dinitro-6-oxidanyl-cyclohexa-2,4-dien-1-yl)ethanone Openeye Name: 1-(6-hydroxy-3,5-dinitro-1-sec-butyl-cyclohexa-2,4-dien-1-yl)ethanone CAS Name: 1-(1-butan-2-yl-6-hydroxy-3,5-dinitro-1-cyclohexa-2,4-dienyl)ethanone IUPAC Name: 1-(1-butan-2-yl-6-hydroxy-3,5-dinitrocyclohexa-2,4-dien-1-yl)ethanone Traditional Name: 1-(6-hydroxy-3,5-dinitro-1-sec-butyl-cyclohexa-2,4-dien-1-yl)ethanone Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C=C(C=C(C1O)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCC(C)C1(C=C(C=C(C1O)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H16N2O6/c1-4-7(2)12(8(3)15)6-9(13(17)18)5-10(11(12)16)14(19)20/h5-7,11,16H,4H2,1-3H3