ethanedioic acid; 2-methoxy-N-[(2-methylphenyl)methyl]-5-nitro-aniline

Systemtic Name: ethanedioic acid; 2-methoxy-N-[(2-methylphenyl)methyl]-5-nitro-aniline Openeye Name: 2-methoxy-5-nitro-N-(o-tolylmethyl)aniline; oxalic acid CAS Name: 2-methoxy-N-[(2-methylphenyl)methyl]-5-nitroaniline; oxalic acid IUPAC Name: 2-methoxy-N-[(2-methylphenyl)methyl]-5-nitroaniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-(2-methylbenzyl)amine; oxalic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3.C2H2O4/c1-11-5-3-4-6-12(11)10-16-14-9-13(17(18)19)7-8-15(14)20-2;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6)