ethanedioic acid; (3-fluorophenyl)-piperazin-1-yl-methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-piperazin-1-yl-methanone Openeye Name: (3-fluorophenyl)-piperazin-1-yl-methanone; oxalic acid CAS Name: (3-fluorophenyl)-(1-piperazinyl)methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-piperazin-1-ylmethanone; oxalic acid Traditional Name: (3-fluorophenyl)-piperazino-methanone; oxalic acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=CC=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=CC=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H13FN2O.C2H2O4/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14;3-1(4)2(5)6/h1-3,8,13H,4-7H2;(H,3,4)(H,5,6)