4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole

Systemtic Name: 4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Openeye Name: 4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole CAS Name: 4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole IUPAC Name: 4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Traditional Name: 4,5-dimethoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C(=C1OC)OC)OCO2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC2=C(C(=C1OC)OC)OCO2)/[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-7(13(14)15)4-8-5-9-11(19-6-18-9)12(17-3)10(8)16-2/h4-5H,6H2,1-3H3/b7-4+