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

Systemtic Name: 5-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole Openeye Name: 5-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole CAS Name: 5-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole Traditional Name: 5-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-2-3-10(13(14)15)6-9-4-5-11-12(7-9)17-8-16-11/h4-7H,2-3,8H2,1H3/b10-6+