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3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; ethanedioic acid

3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; ethanedioic acid

Systemtic Name:3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; ethanedioic acid
Openeye Name:3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; oxalic acid
CAS Name:3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; oxalic acid
IUPAC Name:3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; oxalic acid
Traditional Name:3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidine; oxalic acid
Formula: C18H26N2O7
MolecularWeight: 382.40824
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H24N2O3.C2H2O4/c1-13-10-14(2)12-17(11-13)8-5-9-21-16-7-4-3-6-15(16)18(19)20;3-1(4)2(5)6/h3-4,6-7,13-14H,5,8-12H2,1-2H3;(H,3,4)(H,5,6)


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