ethanedioic acid; 5-(4-fluorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine

Systemtic Name: ethanedioic acid; 5-(4-fluorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Openeye Name: 5-(4-fluorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine; oxalic acid CAS Name: 5-(4-fluorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-imidazolamine; oxalic acid IUPAC Name: 5-(4-fluorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine; oxalic acid Traditional Name: [5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C20H17FN4O8 MolecularWeight: 460.369383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H15FN4O4.C2H2O4/c1-22-15(11-2-4-13(19)5-3-11)9-21-18(22)20-8-12-6-16-17(27-10-26-16)7-14(12)23(24)25;3-1(4)2(5)6/h2-7,9H,8,10H2,1H3,(H,20,21);(H,3,4)(H,5,6)