ethanedioic acid; N-(3-methoxypropyl)-4-(4-methyl-2-nitro-phenoxy)butan-1-amine

Systemtic Name: ethanedioic acid; N-(3-methoxypropyl)-4-(4-methyl-2-nitro-phenoxy)butan-1-amine Openeye Name: N-(3-methoxypropyl)-4-(4-methyl-2-nitro-phenoxy)butan-1-amine; oxalic acid CAS Name: N-(3-methoxypropyl)-4-(4-methyl-2-nitrophenoxy)-1-butanamine; oxalic acid IUPAC Name: N-(3-methoxypropyl)-4-(4-methyl-2-nitrophenoxy)butan-1-amine; oxalic acid Traditional Name: 3-methoxypropyl-[4-(4-methyl-2-nitro-phenoxy)butyl]amine; oxalic acid Formula: C17H26N2O8 MolecularWeight: 386.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNCCCOC)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNCCCOC)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2O4.C2H2O4/c1-13-6-7-15(14(12-13)17(18)19)21-11-4-3-8-16-9-5-10-20-2;3-1(4)2(5)6/h6-7,12,16H,3-5,8-11H2,1-2H3;(H,3,4)(H,5,6)