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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(3-nitrobenzyl)piperazino]methanone; oxalic acid Formula: C20H20FN3O7 MolecularWeight: 433.387103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3.C2H2O4/c19-16-5-2-4-15(12-16)18(23)21-9-7-20(8-10-21)13-14-3-1-6-17(11-14)22(24)25;3-1(4)2(5)6/h1-6,11-12H,7-10,13H2;(H,3,4)(H,5,6)