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

Systemtic Name: ethanedioic acid; 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(3-nitrobenzyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4.C2H2O4/c23-19(15-26-18-7-2-1-3-8-18)21-11-9-20(10-12-21)14-16-5-4-6-17(13-16)22(24)25;3-1(4)2(5)6/h1-8,13H,9-12,14-15H2;(H,3,4)(H,5,6)