(3-fluorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (3-fluorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (3-fluorobenzyl) ester Formula: C16H14FN3O2 MolecularWeight: 299.299663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)F)N=N1

InChI

InChI=1S/C16H14FN3O2/c1-2-20-15-7-6-12(9-14(15)18-19-20)16(21)22-10-11-4-3-5-13(17)8-11/h3-9H,2,10H2,1H3