ethanedioic acid; 1-methyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine

Systemtic Name: ethanedioic acid; 1-methyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine Openeye Name: 1-methyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine; oxalic acid Formula: C18H27N3O7 MolecularWeight: 397.42288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCN2CCN(CC2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCN2CCN(CC2)C)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O3.C2H2O4/c1-14-13-15(5-6-16(14)19(20)21)22-12-4-3-7-18-10-8-17(2)9-11-18;3-1(4)2(5)6/h5-6,13H,3-4,7-12H2,1-2H3;(H,3,4)(H,5,6)