(2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitro-butanal

Systemtic Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitro-butanal Openeye Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitro-butanal CAS Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitrobutanal IUPAC Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitrobutanal Traditional Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-ethyl-4-nitro-butyraldehyde Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-2-9(7-15)11(6-14(16)17)10-3-4-12-13(5-10)19-8-18-12/h3-5,7,9,11H,2,6,8H2,1H3/t9-,11-/m0/s1