[2-[2-cyanoethyl-[3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-[3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C20H15F3N4O3 MolecularWeight: 416.35331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O3/c21-20(22,23)13-5-3-6-14(11-13)27(10-4-9-24)17(28)12-30-19(29)18-15-7-1-2-8-16(15)25-26-18/h1-3,5-8,11H,4,10,12H2,(H,25,26)