1-(2,3-dinitrophenyl)-2-(oxiran-2-ylmethyl)butan-1-one

Systemtic Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-ylmethyl)butan-1-one Openeye Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-ylmethyl)butan-1-one CAS Name: 1-(2,3-dinitrophenyl)-2-(2-oxiranylmethyl)-1-butanone IUPAC Name: 1-(2,3-dinitrophenyl)-2-(oxiran-2-ylmethyl)butan-1-one Traditional Name: 1-(2,3-dinitrophenyl)-2-glycidyl-butan-1-one Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CO1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC1CO1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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