[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C20H18FN3O4/c1-14(25)23-16-7-4-6-15(12-16)20(27)28-13-19(26)24(11-5-10-22)18-9-3-2-8-17(18)21/h2-4,6-9,12H,5,11,13H2,1H3,(H,23,25)