[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)N=N1

InChI

InChI=1S/C20H18FN5O3/c1-2-26-18-9-8-14(12-16(18)23-24-26)20(28)29-13-19(27)25(11-5-10-22)17-7-4-3-6-15(17)21/h3-4,6-9,12H,2,5,11,13H2,1H3