ethanedioic acid; 1-[(3-nitrophenyl)methyl]-4-pyrrolidin-1-yl-piperidine

Systemtic Name: ethanedioic acid; 1-[(3-nitrophenyl)methyl]-4-pyrrolidin-1-yl-piperidine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-pyrrolidin-1-yl-piperidine; oxalic acid CAS Name: 1-[(3-nitrophenyl)methyl]-4-(1-pyrrolidinyl)piperidine; oxalic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-pyrrolidin-1-ylpiperidine; oxalic acid Traditional Name: 1-(3-nitrobenzyl)-4-pyrrolidino-piperidine; oxalic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O2.C2H2O4/c20-19(21)16-5-3-4-14(12-16)13-17-10-6-15(7-11-17)18-8-1-2-9-18;3-1(4)2(5)6/h3-5,12,15H,1-2,6-11,13H2;(H,3,4)(H,5,6)