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

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-methyl-2-(nitromethyl)butan-1-one Openeye Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-methyl-2-(nitromethyl)butan-1-one CAS Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-methyl-2-(nitromethyl)-1-butanone IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-methyl-2-(nitromethyl)butan-1-one Traditional Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-methyl-2-(nitromethyl)butan-1-one Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(2)10(6-14(16)17)13(15)9-3-4-11-12(5-9)19-7-18-11/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1