2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-one

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-one Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-one CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1-cyclohex-2-enone IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]cyclohex-2-en-1-one Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-one Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=O)C1)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC=C(C(=O)C1)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H15NO5/c17-13-4-2-1-3-11(13)12(8-16(18)19)10-5-6-14-15(7-10)21-9-20-14/h3,5-7,12H,1-2,4,8-9H2