5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole

Systemtic Name: 5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Openeye Name: 5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole CAS Name: 5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole IUPAC Name: 5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Traditional Name: 5-methyl-6-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C=C(C)[N+](=O)[O-])OCO2

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-7-3-10-11(16-6-15-10)5-9(7)4-8(2)12(13)14/h3-5H,6H2,1-2H3/b8-4+