(6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

Systemtic Name: (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanol Openeye Name: (5-allyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol CAS Name: (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanol IUPAC Name: (6-nitro-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanol Traditional Name: (5-allyl-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC2=C1OC(CO2)CO)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=C(C=CC2=C1OC(CO2)CO)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-2-3-9-10(13(15)16)4-5-11-12(9)18-8(6-14)7-17-11/h2,4-5,8,14H,1,3,6-7H2