ethanedioic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methyl-pyrrole

Systemtic Name: ethanedioic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methyl-pyrrole Openeye Name: oxalic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methyl-pyrrole CAS Name: oxalic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methylpyrrole IUPAC Name: oxalic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methylpyrrole Traditional Name: oxalic acid; 2,2,3,5,5-pentadeuterio-4-(4-fluorophenyl)-1-methyl-3-pyrroline Formula: C13H14FNO4 MolecularWeight: 272.283772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C1)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

[2H]C1=C(C(N(C1([2H])[2H])C)([2H])[2H])C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H12FN.C2H2O4/c1-13-7-6-10(8-13)9-2-4-11(12)5-3-9;3-1(4)2(5)6/h2-6H,7-8H2,1H3;(H,3,4)(H,5,6)/i6D,7D2,8D2;