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

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-thiol Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-thiol CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 4-piperidinethiol IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-thiol Traditional Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-thiol Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C5H11NS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;7-5-1-3-6-4-2-5/h1-4,7H;5-7H,1-4H2