lithium 3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazole-4-carboxylate

Systemtic Name: lithium 3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazole-4-carboxylate Openeye Name: lithium 3-[(4-cyano-3-fluoro-phenyl)methyl]imidazole-4-carboxylate CAS Name: lithium 3-[(4-cyano-3-fluorophenyl)methyl]-4-imidazolecarboxylate IUPAC Name: lithium 3-[(4-cyano-3-fluorophenyl)methyl]imidazole-4-carboxylate Traditional Name: lithium 3-(4-cyano-3-fluoro-benzyl)imidazole-4-carboxylate Formula: C12H7FLiN3O2 MolecularWeight: 251.142283

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1=CC(=C(C=C1CN2C=NC=C2C(=O)[O-])F)C#N

Isomeric SMILES

[Li+].C1=CC(=C(C=C1CN2C=NC=C2C(=O)[O-])F)C#N

InChI

InChI=1S/C12H8FN3O2.Li/c13-10-3-8(1-2-9(10)4-14)6-16-7-15-5-11(16)12(17)18;/h1-3,5,7H,6H2,(H,17,18);/q;+1/p-1