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

Systemtic Name: ethanedioic acid; 2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline Openeye Name: 2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline; oxalic acid CAS Name: 2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline; oxalic acid IUPAC Name: 2-methoxy-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(trifluoromethyl)benzyl]amine; oxalic acid Formula: C17H15F3N2O7 MolecularWeight: 416.30541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13F3N2O3.C2H2O4/c1-23-14-7-6-12(20(21)22)8-13(14)19-9-10-2-4-11(5-3-10)15(16,17)18;3-1(4)2(5)6/h2-8,19H,9H2,1H3;(H,3,4)(H,5,6)