ethanedioic acid; 2-(3-fluorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(3-fluorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine Openeye Name: 2-(3-fluorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(3-fluorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3-fluorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid Traditional Name: 2-(3-fluorophenyl)ethyl-(3-nitrobenzyl)amine; oxalic acid Formula: C17H17FN2O6 MolecularWeight: 364.325083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CCNCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CCNCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15FN2O2.C2H2O4/c16-14-5-1-3-12(9-14)7-8-17-11-13-4-2-6-15(10-13)18(19)20;3-1(4)2(5)6/h1-6,9-10,17H,7-8,11H2;(H,3,4)(H,5,6)