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

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Openeye Name: (2S)-1-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-(nitromethyl)butan-1-one CAS Name: (2S)-1-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-(nitromethyl)-1-butanone IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Traditional Name: (2S)-1-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2-(nitromethyl)butan-1-one Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(2,3)10(7-15(17)18)13(16)9-4-5-11-12(6-9)20-8-19-11/h4-6,10H,7-8H2,1-3H3/t10-/m0/s1