ethanedioic acid; 5-nitro-2-(3-piperidin-1-ylpropoxy)pyridine

Systemtic Name: ethanedioic acid; 5-nitro-2-(3-piperidin-1-ylpropoxy)pyridine Openeye Name: 5-nitro-2-[3-(1-piperidyl)propoxy]pyridine; oxalic acid CAS Name: 5-nitro-2-[3-(1-piperidinyl)propoxy]pyridine; oxalic acid IUPAC Name: 5-nitro-2-(3-piperidin-1-ylpropoxy)pyridine; oxalic acid Traditional Name: 5-nitro-2-(3-piperidinopropoxy)pyridine; oxalic acid Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=NC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=NC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O3.C2H2O4/c17-16(18)12-5-6-13(14-11-12)19-10-4-9-15-7-2-1-3-8-15;3-1(4)2(5)6/h5-6,11H,1-4,7-10H2;(H,3,4)(H,5,6)