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

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidin-4-ylethanoic acid Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(4-piperidyl)acetic acid CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(4-piperidinyl)acetic acid IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-piperidin-4-ylacetic acid Traditional Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 2-(4-piperidyl)acetic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC(=O)O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1CC(=O)O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C7H13NO2/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;9-7(10)5-6-1-3-8-4-2-6/h1-4,7H;6,8H,1-5H2,(H,9,10)