4-bromanyl-N-[(2-nitrophenyl)methyl]aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-N-[(2-nitrophenyl)methyl]aniline; ethanedioic acid Openeye Name: 4-bromo-N-[(2-nitrophenyl)methyl]aniline; oxalic acid CAS Name: 4-bromo-N-[(2-nitrophenyl)methyl]aniline; oxalic acid IUPAC Name: 4-bromo-N-[(2-nitrophenyl)methyl]aniline; oxalic acid Traditional Name: (4-bromophenyl)-(2-nitrobenzyl)amine; oxalic acid Formula: C15H13BrN2O6 MolecularWeight: 397.17752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)Br)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)Br)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H11BrN2O2.C2H2O4/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18;3-1(4)2(5)6/h1-8,15H,9H2;(H,3,4)(H,5,6)