[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H15BrFN3O3 MolecularWeight: 444.253803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F)Br

InChI

InChI=1S/C20H15BrFN3O3/c21-18-13-6-1-3-8-15(13)24-19(18)20(27)28-12-17(26)25(11-5-10-23)16-9-4-2-7-14(16)22/h1-4,6-9,24H,5,11-12H2