2-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine; oxalic acid Traditional Name: homoveratryl-(4-nitrobenzyl)amine; oxalic acid Formula: C19H22N2O8 MolecularWeight: 406.38658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC=C(C=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2O4.C2H2O4/c1-22-16-8-5-13(11-17(16)23-2)9-10-18-12-14-3-6-15(7-4-14)19(20)21;3-1(4)2(5)6/h3-8,11,18H,9-10,12H2,1-2H3;(H,3,4)(H,5,6)