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(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one

(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one

Systemtic Name:(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one
Openeye Name:(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one
CAS Name:(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)-1-butanone
IUPAC Name:(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one
Traditional Name:(2S)-1-(1,3-benzodioxol-5-yl)-2-(nitromethyl)butan-1-one
Formula: C12H13NO5
MolecularWeight: 251.23532
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+](=O)[O-])C(=O)C1=CC2=C(C=C1)OCO2


Isomeric SMILES

CC[C@@H](C[N+](=O)[O-])C(=O)C1=CC2=C(C=C1)OCO2


InChI

InChI=1S/C12H13NO5/c1-2-8(6-13(15)16)12(14)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,2,6-7H2,1H3/t8-/m0/s1


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