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

Systemtic Name: 5-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1-benzofuran Openeye Name: 5-[(E)-2-nitropent-1-enyl]-2,3-dihydrobenzofuran CAS Name: 5-[(E)-2-nitropent-1-enyl]-2,3-dihydrobenzofuran IUPAC Name: 5-[(E)-2-nitropent-1-enyl]-2,3-dihydro-1-benzofuran Traditional Name: 5-[(E)-2-nitropent-1-enyl]coumaran Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC2=C(C=C1)OCC2)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=C\C1=CC2=C(C=C1)OCC2)/[N+](=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-2-3-12(14(15)16)9-10-4-5-13-11(8-10)6-7-17-13/h4-5,8-9H,2-3,6-7H2,1H3/b12-9+