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

Systemtic Name: ethanedioic acid; 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitro-aniline Openeye Name: 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitro-aniline; oxalic acid CAS Name: 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline; oxalic acid IUPAC Name: 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-p-anisyl-amine; oxalic acid Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O4.C2H2O4/c1-20-13-6-3-11(4-7-13)10-16-14-9-12(17(18)19)5-8-15(14)21-2;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6)