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

Systemtic Name: ethanedioic acid; 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(4-nitrobenzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C27H27N3O7 MolecularWeight: 505.51918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3.C2H2O4/c29-25(24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)27-17-15-26(16-18-27)19-20-11-13-23(14-12-20)28(30)31;3-1(4)2(5)6/h1-14,24H,15-19H2;(H,3,4)(H,5,6)