N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitro-aniline; ethanedioic acid Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitro-aniline; oxalic acid CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-5-nitroaniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-veratryl-amine; oxalic acid Formula: C18H20N2O9 MolecularWeight: 408.3594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O5.C2H2O4/c1-21-14-7-5-12(18(19)20)9-13(14)17-10-11-4-6-15(22-2)16(8-11)23-3;3-1(4)2(5)6/h4-9,17H,10H2,1-3H3;(H,3,4)(H,5,6)