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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCN2CCCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCN2CCCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O3.C2H2O4/c1-13-6-7-15(14(12-13)17(18)19)20-11-5-10-16-8-3-2-4-9-16;3-1(4)2(5)6/h6-7,12H,2-5,8-11H2,1H3;(H,3,4)(H,5,6)