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

Systemtic Name: N-methyl-3-sulfanyl-piperidine-1-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: N-methyl-3-sulfanyl-piperidine-1-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 3-mercapto-N-methyl-1-piperidinecarboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: N-methyl-3-sulfanylpiperidine-1-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 3-mercapto-N-methyl-piperidine-1-carboxamide; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCCC(C1)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)N1CCCC(C1)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C7H14N2OS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-8-7(10)9-4-2-3-6(11)5-9/h1-4,7H;6,11H,2-5H2,1H3,(H,8,10)