ethanedioic acid; 3-methyl-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: ethanedioic acid; 3-methyl-N-[(3-nitrophenyl)methyl]aniline Openeye Name: 3-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid CAS Name: 3-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid IUPAC Name: 3-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid Traditional Name: m-tolyl-(3-nitrobenzyl)amine; oxalic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14N2O2.C2H2O4/c1-11-4-2-6-13(8-11)15-10-12-5-3-7-14(9-12)16(17)18;3-1(4)2(5)6/h2-9,15H,10H2,1H3;(H,3,4)(H,5,6)