ethanedioic acid; (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-nitrophenyl)-[4-(3-phenoxybenzyl)piperazino]methanone; oxalic acid Formula: C26H25N3O8 MolecularWeight: 507.492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O4.C2H2O4/c28-24(20-9-11-21(12-10-20)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-22-6-2-1-3-7-22;3-1(4)2(5)6/h1-12,17H,13-16,18H2;(H,3,4)(H,5,6)