(2-chloranyl-6-fluoranyl-phenyl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H13ClFN3O2 MolecularWeight: 333.744723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)N=N1

InChI

InChI=1S/C16H13ClFN3O2/c1-2-21-15-7-6-10(8-14(15)19-20-21)16(22)23-9-11-12(17)4-3-5-13(11)18/h3-8H,2,9H2,1H3