1-(2-cyano-3-fluoranyl-phenyl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)benzotriazole-5-carboxylic acid Openeye Name: 1-(2-cyano-3-fluoro-phenyl)benzotriazole-5-carboxylic acid CAS Name: 1-(2-cyano-3-fluorophenyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(2-cyano-3-fluorophenyl)benzotriazole-5-carboxylic acid Traditional Name: 1-(2-cyano-3-fluoro-phenyl)benzotriazole-5-carboxylic acid Formula: C14H7FN4O2 MolecularWeight: 282.229383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C#N)N2C3=C(C=C(C=C3)C(=O)O)N=N2

Isomeric SMILES

C1=CC(=C(C(=C1)F)C#N)N2C3=C(C=C(C=C3)C(=O)O)N=N2

InChI

InChI=1S/C14H7FN4O2/c15-10-2-1-3-12(9(10)7-16)19-13-5-4-8(14(20)21)6-11(13)17-18-19/h1-6H,(H,20,21)