[2-[4-[5-(4-bromophenyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-[4-[5-(4-bromophenyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[4-[5-(4-bromophenyl)-1-triazolyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-2-keto-ethyl] ester Formula: C23H15BrFN3O3 MolecularWeight: 480.285903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3C(=CN=N3)C4=CC=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N3C(=CN=N3)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C23H15BrFN3O3/c24-17-9-5-15(6-10-17)21-13-26-27-28(21)18-11-7-16(8-12-18)22(29)14-31-23(30)19-3-1-2-4-20(19)25/h1-13H,14H2