ethanedioic acid; 3-methyl-1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperidine

Systemtic Name: ethanedioic acid; 3-methyl-1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperidine Openeye Name: 3-methyl-1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperidine; oxalic acid CAS Name: 3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine; oxalic acid IUPAC Name: 3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 3-methyl-1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperidine; oxalic acid Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3.C2H2O4/c1-12-5-6-15(14(10-12)17(18)19)20-9-8-16-7-3-4-13(2)11-16;3-1(4)2(5)6/h5-6,10,13H,3-4,7-9,11H2,1-2H3;(H,3,4)(H,5,6)