[4-(4-fluorophenyl)carbonylphenyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C22H16FN3O3 MolecularWeight: 389.379143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)N=N1

InChI

InChI=1S/C22H16FN3O3/c1-2-26-20-12-7-16(13-19(20)24-25-26)22(28)29-18-10-5-15(6-11-18)21(27)14-3-8-17(23)9-4-14/h3-13H,2H2,1H3