ethanedioic acid; 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine

Systemtic Name: ethanedioic acid; 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine Openeye Name: 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine; oxalic acid CAS Name: 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine; oxalic acid IUPAC Name: 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 3-methyl-1-[2-(2-nitrophenoxy)ethyl]piperidine; oxalic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCOC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c1-12-5-4-8-15(11-12)9-10-19-14-7-3-2-6-13(14)16(17)18;3-1(4)2(5)6/h2-3,6-7,12H,4-5,8-11H2,1H3;(H,3,4)(H,5,6)