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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCCOC2=C(C=C(C=C2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCCCOC2=C(C=C(C=C2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-14-7-8-17(16(12-14)19(20)21)22-11-4-3-9-18-10-5-6-15(2)13-18;3-1(4)2(5)6/h7-8,12,15H,3-6,9-11,13H2,1-2H3;(H,3,4)(H,5,6)