6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1,4-benzodioxin Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC2=C(C=C1)OCCO2)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=C\C1=CC2=C(C=C1)OCCO2)/[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-2-3-11(14(15)16)8-10-4-5-12-13(9-10)18-7-6-17-12/h4-5,8-9H,2-3,6-7H2,1H3/b11-8+