1-(2-fluorophenyl)-2,4,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-(2-fluorophenyl)-2,4,5-trimethyl-pyrrole-3-carboxylate Openeye Name: 1-(2-fluorophenyl)-2,4,5-trimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-fluorophenyl)-2,4,5-trimethyl-3-pyrrolecarboxylate IUPAC Name: 1-(2-fluorophenyl)-2,4,5-trimethylpyrrole-3-carboxylate Traditional Name: 1-(2-fluorophenyl)-2,4,5-trimethyl-pyrrole-3-carboxylate Formula: C14H13FNO2- MolecularWeight: 246.256923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)[O-])C)C2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)[O-])C)C2=CC=CC=C2F)C

InChI

InChI=1S/C14H14FNO2/c1-8-9(2)16(10(3)13(8)14(17)18)12-7-5-4-6-11(12)15/h4-7H,1-3H3,(H,17,18)/p-1