1-(2,3-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(2,3-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(2,3-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid CAS Name: 1-(2,3-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(2,3-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid Traditional Name: (2-nitrobenzyl)-o-veratryl-amine; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CNCC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O4.C2H2O4/c1-21-15-9-5-7-13(16(15)22-2)11-17-10-12-6-3-4-8-14(12)18(19)20;3-1(4)2(5)6/h3-9,17H,10-11H2,1-2H3;(H,3,4)(H,5,6)