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

Systemtic Name: ethanedioic acid; 2-(4-nitrophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine Openeye Name: 2-(4-nitrophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(4-nitrophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(4-nitrophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine; oxalic acid Traditional Name: 2-(4-nitrophenyl)ethyl-(2,3,4-trimethoxybenzyl)amine; oxalic acid Formula: C20H24N2O9 MolecularWeight: 436.41256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNCCC2=CC=C(C=C2)[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CNCCC2=CC=C(C=C2)[N+](=O)[O-])OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O5.C2H2O4/c1-23-16-9-6-14(17(24-2)18(16)25-3)12-19-11-10-13-4-7-15(8-5-13)20(21)22;3-1(4)2(5)6/h4-9,19H,10-12H2,1-3H3;(H,3,4)(H,5,6)