5-(1,3-benzodioxol-5-yl)-6-nitro-hexanal

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-nitro-hexanal Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-nitro-hexanal CAS Name: 5-(1,3-benzodioxol-5-yl)-6-nitrohexanal IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-nitrohexanal Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-nitro-hexanal Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CCCC=O)C[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CCCC=O)C[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5/c15-6-2-1-3-11(8-14(16)17)10-4-5-12-13(7-10)19-9-18-12/h4-7,11H,1-3,8-9H2