ethanedioic acid; 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-2-(4-phenylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(3-nitrobenzyl)piperazino]-2-(4-phenylphenoxy)ethanone; oxalic acid Formula: C27H27N3O8 MolecularWeight: 521.51858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25N3O4.C2H2O4/c29-25(19-32-24-11-9-22(10-12-24)21-6-2-1-3-7-21)27-15-13-26(14-16-27)18-20-5-4-8-23(17-20)28(30)31;3-1(4)2(5)6/h1-12,17H,13-16,18-19H2;(H,3,4)(H,5,6)