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

Systemtic Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-carbaldehyde Openeye Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-carbaldehyde CAS Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; 4-piperidinecarboxaldehyde IUPAC Name: 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one; piperidine-4-carbaldehyde Traditional Name: isonipecotaldehyde; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C=O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1C=O.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C6H11NO/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;8-5-6-1-3-7-4-2-6/h1-4,7H;5-7H,1-4H2