3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol

Systemtic Name: 3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Openeye Name: 3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol CAS Name: 3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol IUPAC Name: 3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Traditional Name: 3-(1-nitroethyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(COC2=CC=CC=C2OC1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1(COC2=CC=CC=C2OC1)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-8(12(14)15)11(13)6-16-9-4-2-3-5-10(9)17-7-11/h2-5,8,13H,6-7H2,1H3