ethanedioic acid; N-methyl-N-[(4-nitrophenyl)methyl]-2-pyridin-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-methyl-N-[(4-nitrophenyl)methyl]-2-pyridin-2-yl-ethanamine Openeye Name: N-methyl-N-[(4-nitrophenyl)methyl]-2-(2-pyridyl)ethanamine; oxalic acid CAS Name: N-methyl-N-[(4-nitrophenyl)methyl]-2-(2-pyridinyl)ethanamine; oxalic acid IUPAC Name: N-methyl-N-[(4-nitrophenyl)methyl]-2-pyridin-2-ylethanamine; oxalic acid Traditional Name: methyl-(4-nitrobenzyl)-[2-(2-pyridyl)ethyl]amine; oxalic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=N1)CC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3O2.C2H2O4/c1-17(11-9-14-4-2-3-10-16-14)12-13-5-7-15(8-6-13)18(19)20;3-1(4)2(5)6/h2-8,10H,9,11-12H2,1H3;(H,3,4)(H,5,6)