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

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 4-sulfanylpyrrolidine-2-carboxamide Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 4-sulfanylpyrrolidine-2-carboxamide CAS Name: 4-mercapto-2-pyrrolidinecarboxamide; 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; 4-sulfanylpyrrolidine-2-carboxamide Traditional Name: 4-mercaptopyrrolidine-2-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)N)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1C(CNC1C(=O)N)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C5H10N2OS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;6-5(8)4-1-3(9)2-7-4/h1-4,7H;3-4,7,9H,1-2H2,(H2,6,8)