3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; ethanedioic acid

Systemtic Name: 3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; ethanedioic acid Openeye Name: 3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; oxalic acid CAS Name: 3,5-dimethyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidine; oxalic acid IUPAC Name: 3,5-dimethyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; oxalic acid Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3.C2H2O4/c1-12-8-13(2)11-17(10-12)6-7-21-15-4-5-16(18(19)20)14(3)9-15;3-1(4)2(5)6/h4-5,9,12-13H,6-8,10-11H2,1-3H3;(H,3,4)(H,5,6)