6-nitro-8-[(2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxine

Systemtic Name: 6-nitro-8-[(2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxine Openeye Name: 8-[(2-allylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 6-nitro-8-[(2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxin IUPAC Name: 6-nitro-8-[(2-prop-2-enylphenoxy)methyl]-4H-1,3-benzodioxine Traditional Name: 8-[(2-allylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C=CCC1=CC=CC=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H17NO5/c1-2-5-13-6-3-4-7-17(13)23-11-15-9-16(19(20)21)8-14-10-22-12-24-18(14)15/h2-4,6-9H,1,5,10-12H2