[3-(trifluoromethyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C17H14F3N3O2 MolecularWeight: 349.30717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O2/c1-2-23-15-7-6-12(9-14(15)21-22-23)16(24)25-10-11-4-3-5-13(8-11)17(18,19)20/h3-9H,2,10H2,1H3