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

Systemtic Name: ethanedioic acid; N-[(2-nitrophenyl)methyl]aniline Openeye Name: N-[(2-nitrophenyl)methyl]aniline; oxalic acid CAS Name: N-[(2-nitrophenyl)methyl]aniline; oxalic acid IUPAC Name: N-[(2-nitrophenyl)methyl]aniline; oxalic acid Traditional Name: (2-nitrobenzyl)-phenyl-amine; oxalic acid Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)NCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12N2O2.C2H2O4/c16-15(17)13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;3-1(4)2(5)6/h1-9,14H,10H2;(H,3,4)(H,5,6)