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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC=O

Isomeric SMILES

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC=O

InChI

InChI=1S/C12H13NO5/c1-2-8-7-17-11-4-3-10(13(15)16)9(5-6-14)12(11)18-8/h3-4,6,8H,2,5,7H2,1H3