1-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid CAS Name: 1-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine; oxalic acid Traditional Name: (2-nitrobenzyl)-veratryl-amine; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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