2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidin-4-yl methanesulfonate

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidin-4-yl methanesulfonate Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 4-piperidyl methanesulfonate CAS Name: methanesulfonic acid 4-piperidinyl ester; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidin-4-yl methanesulfonate Traditional Name: methanesulfonic acid 4-piperidyl ester; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCNCC1.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CCNCC1.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C6H13NO3S/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-11(8,9)10-6-2-4-7-5-3-6/h1-4,7H;6-7H,2-5H2,1H3