[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C17H13F2N3O3 MolecularWeight: 345.300226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2N3O3/c1-2-22-15-6-3-10(7-14(15)20-21-22)17(24)25-9-16(23)12-8-11(18)4-5-13(12)19/h3-8H,2,9H2,1H3