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

Systemtic Name: 4-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole Openeye Name: 4-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole CAS Name: 4-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole IUPAC Name: 4-[(E)-2-nitropent-1-enyl]-1,3-benzodioxole Traditional Name: 4-[(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=C2C(=CC=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=C\C1=C2C(=CC=C1)OCO2)/[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-2-4-10(13(14)15)7-9-5-3-6-11-12(9)17-8-16-11/h3,5-7H,2,4,8H2,1H3/b10-7+