N-[(3,4-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine; ethanedioic acid Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine; oxalic acid CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine; oxalic acid IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine; oxalic acid Traditional Name: (4-nitrobenzyl)-veratryl-amine; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

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