5-(2H-benzotriazol-5-ylcarbamoyl)-2-methyl-3-oxidanylidene-1H-pyrazole-4-carbonyl fluoride

Systemtic Name: 5-(2H-benzotriazol-5-ylcarbamoyl)-2-methyl-3-oxidanylidene-1H-pyrazole-4-carbonyl fluoride Openeye Name: 5-(2H-benzotriazol-5-ylcarbamoyl)-2-methyl-3-oxo-1H-pyrazole-4-carbonyl fluoride CAS Name: 5-[(2H-benzotriazol-5-ylamino)-oxomethyl]-2-methyl-3-oxo-1H-pyrazole-4-carbonyl fluoride IUPAC Name: 5-(2H-benzotriazol-5-ylcarbamoyl)-2-methyl-3-oxo-1H-pyrazole-4-carbonyl fluoride Traditional Name: 3-(2H-benzotriazol-5-ylcarbamoyl)-5-keto-1-methyl-3-pyrazoline-4-carbonyl fluoride Formula: C12H9FN6O3 MolecularWeight: 304.236663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)C(=O)NC2=CC3=NNN=C3C=C2)C(=O)F

Isomeric SMILES

CN1C(=O)C(=C(N1)C(=O)NC2=CC3=NNN=C3C=C2)C(=O)F

InChI

InChI=1S/C12H9FN6O3/c1-19-12(22)8(10(13)20)9(17-19)11(21)14-5-2-3-6-7(4-5)16-18-15-6/h2-4,17H,1H3,(H,14,21)(H,15,16,18)