ethanedioic acid; N-[2-(3-methyl-4-nitro-phenoxy)ethyl]cyclopentanamine

Systemtic Name: ethanedioic acid; N-[2-(3-methyl-4-nitro-phenoxy)ethyl]cyclopentanamine Openeye Name: N-[2-(3-methyl-4-nitro-phenoxy)ethyl]cyclopentanamine; oxalic acid CAS Name: N-[2-(3-methyl-4-nitrophenoxy)ethyl]cyclopentanamine; oxalic acid IUPAC Name: N-[2-(3-methyl-4-nitrophenoxy)ethyl]cyclopentanamine; oxalic acid Traditional Name: cyclopentyl-[2-(3-methyl-4-nitro-phenoxy)ethyl]amine; oxalic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCNC2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCNC2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c1-11-10-13(6-7-14(11)16(17)18)19-9-8-15-12-4-2-3-5-12;3-1(4)2(5)6/h6-7,10,12,15H,2-5,8-9H2,1H3;(H,3,4)(H,5,6)