ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidine

Systemtic Name: ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidine; oxalic acid CAS Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[2-(3-nitrophenoxy)ethyl]piperidine; oxalic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3.C2H2O4/c23-22(24)19-7-4-8-20(16-19)25-14-13-21-11-9-18(10-12-21)15-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-8,16,18H,9-15H2;(H,3,4)(H,5,6)