ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(2-nitrobenzyl)piperazino]ethanone; oxalic acid Formula: C22H25N3O9 MolecularWeight: 475.4486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O5.C2H2O4/c1-27-17-6-8-18(9-7-17)28-15-20(24)22-12-10-21(11-13-22)14-16-4-2-3-5-19(16)23(25)26;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)