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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C15H15NO6 MolecularWeight: 305.2827

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6/c17-11-2-1-3-12(18)15(11)10(7-16(19)20)9-4-5-13-14(6-9)22-8-21-13/h4-6,10,17H,1-3,7-8H2