5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole

Systemtic Name: 5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole Openeye Name: 5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole CAS Name: 5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole Traditional Name: 5-[(E)-2-nitrobut-1-enyl]-1,3-benzodioxole Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-2-9(12(13)14)5-8-3-4-10-11(6-8)16-7-15-10/h3-6H,2,7H2,1H3/b9-5+