ethanedioic acid; N-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]butan-1-amine Openeye Name: N-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-[2-(4-methyl-2-nitrophenoxy)ethoxy]ethyl]butan-1-amine; oxalic acid Traditional Name: butyl-[2-[2-(4-methyl-2-nitro-phenoxy)ethoxy]ethyl]amine; oxalic acid Formula: C17H26N2O8 MolecularWeight: 386.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOCCOC1=C(C=C(C=C1)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2O4.C2H2O4/c1-3-4-7-16-8-9-20-10-11-21-15-6-5-13(2)12-14(15)17(18)19;3-1(4)2(5)6/h5-6,12,16H,3-4,7-11H2,1-2H3;(H,3,4)(H,5,6)