ethanedioic acid; N-(2-methoxyethyl)-3-(4-methyl-2-nitro-phenoxy)propan-1-amine

Systemtic Name: ethanedioic acid; N-(2-methoxyethyl)-3-(4-methyl-2-nitro-phenoxy)propan-1-amine Openeye Name: N-(2-methoxyethyl)-3-(4-methyl-2-nitro-phenoxy)propan-1-amine; oxalic acid CAS Name: N-(2-methoxyethyl)-3-(4-methyl-2-nitrophenoxy)-1-propanamine; oxalic acid IUPAC Name: N-(2-methoxyethyl)-3-(4-methyl-2-nitrophenoxy)propan-1-amine; oxalic acid Traditional Name: 2-methoxyethyl-[3-(4-methyl-2-nitro-phenoxy)propyl]amine; oxalic acid Formula: C15H22N2O8 MolecularWeight: 358.34378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4.C2H2O4/c1-11-4-5-13(12(10-11)15(16)17)19-8-3-6-14-7-9-18-2;3-1(4)2(5)6/h4-5,10,14H,3,6-9H2,1-2H3;(H,3,4)(H,5,6)