2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidin-1-ylethanethioic S-acid

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidin-1-ylethanethioic S-acid Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(1-piperidyl)ethanethioic S-acid CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(1-piperidinyl)ethanethioic S-acid IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidin-1-ylethanethioic S-acid Traditional Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidinothioacetic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC(=O)S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C7H13NOS/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;9-7(10)6-8-4-2-1-3-5-8/h1-4,7H;1-6H2,(H,9,10)