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

Systemtic Name: 3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidine; ethanedioic acid Openeye Name: 3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidine; oxalic acid CAS Name: 3,5-dimethyl-1-[3-(4-methyl-2-nitrophenoxy)propyl]piperidine; oxalic acid IUPAC Name: 3,5-dimethyl-1-[3-(4-methyl-2-nitrophenoxy)propyl]piperidine; oxalic acid Traditional Name: 3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidine; oxalic acid Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCOC2=C(C=C(C=C2)C)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)CCCOC2=C(C=C(C=C2)C)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-13-5-6-17(16(10-13)19(20)21)22-8-4-7-18-11-14(2)9-15(3)12-18;3-1(4)2(5)6/h5-6,10,14-15H,4,7-9,11-12H2,1-3H3;(H,3,4)(H,5,6)