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

Systemtic Name: N-methyl-4-sulfanyl-pyrrolidine-2-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: N-methyl-4-sulfanyl-pyrrolidine-2-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 4-mercapto-N-methyl-2-pyrrolidinecarboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: N-methyl-4-sulfanylpyrrolidine-2-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 4-mercapto-N-methyl-pyrrolidine-2-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CC(CN1)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C6H12N2OS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-7-6(9)5-2-4(10)3-8-5/h1-4,7H;4-5,8,10H,2-3H2,1H3,(H,7,9)