1-(2,3-dinitrophenyl)-2-(oxiran-2-yl)pentan-1-one

Systemtic Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-yl)pentan-1-one Openeye Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-yl)pentan-1-one CAS Name: 1-(2,3-dinitrophenyl)-2-(2-oxiranyl)-1-pentanone IUPAC Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-yl)pentan-1-one Traditional Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-yl)pentan-1-one Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CO1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(C1CO1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-2-4-8(11-7-21-11)13(16)9-5-3-6-10(14(17)18)12(9)15(19)20/h3,5-6,8,11H,2,4,7H2,1H3