[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H15ClFN3O3 MolecularWeight: 375.781403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C18H15ClFN3O3/c19-12-3-1-4-14(9-12)23(8-2-7-21)17(24)11-26-18(25)15-6-5-13(20)10-16(15)22/h1,3-6,9-10H,2,8,11,22H2