N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]aniline; ethanedioic acid

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]aniline; ethanedioic acid Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]aniline; oxalic acid CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]aniline; oxalic acid IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]aniline; oxalic acid Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-phenyl-amine; oxalic acid Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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