1-[2-deuterio-3-(4-nitrophenyl)oxiran-2-yl]pentan-1-one

Systemtic Name: 1-[2-deuterio-3-(4-nitrophenyl)oxiran-2-yl]pentan-1-one Openeye Name: 1-[2-deuterio-3-(4-nitrophenyl)oxiran-2-yl]pentan-1-one CAS Name: 1-[2-deuterio-3-(4-nitrophenyl)-2-oxiranyl]-1-pentanone IUPAC Name: 1-[2-deuterio-3-(4-nitrophenyl)oxiran-2-yl]pentan-1-one Traditional Name: 1-[2-deuterio-3-(4-nitrophenyl)oxiran-2-yl]pentan-1-one Formula: C13H15NO4 MolecularWeight: 250.268662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

[2H]C1(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCC

InChI

InChI=1S/C13H15NO4/c1-2-3-4-11(15)13-12(18-13)9-5-7-10(8-6-9)14(16)17/h5-8,12-13H,2-4H2,1H3/i13D