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

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; pyrrolidine-3-thiol Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; pyrrolidine-3-thiol CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 3-pyrrolidinethiol IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; pyrrolidine-3-thiol Traditional Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; pyrrolidine-3-thiol Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C4H9NS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;6-4-1-2-5-3-4/h1-4,7H;4-6H,1-3H2