ethanedioic acid; 2-methyl-N-[(2-methylphenyl)methyl]-4-nitro-aniline

Systemtic Name: ethanedioic acid; 2-methyl-N-[(2-methylphenyl)methyl]-4-nitro-aniline Openeye Name: 2-methyl-4-nitro-N-(o-tolylmethyl)aniline; oxalic acid CAS Name: 2-methyl-N-[(2-methylphenyl)methyl]-4-nitroaniline; oxalic acid IUPAC Name: 2-methyl-N-[(2-methylphenyl)methyl]-4-nitroaniline; oxalic acid Traditional Name: (2-methylbenzyl)-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O2.C2H2O4/c1-11-5-3-4-6-13(11)10-16-15-8-7-14(17(18)19)9-12(15)2;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6)