1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

Systemtic Name: 1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone Openeye Name: 1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone CAS Name: 1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone IUPAC Name: 1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone Traditional Name: 1-(6-ethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)C

Isomeric SMILES

CCC1=C(C2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)C

InChI

InChI=1S/C12H13NO5/c1-3-8-9(13(15)16)6-10-12(11(8)7(2)14)18-5-4-17-10/h6H,3-5H2,1-2H3