[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H17ClFN3O4 MolecularWeight: 405.807383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F)Cl)N

InChI

InChI=1S/C19H17ClFN3O4/c1-27-17-10-16(23)15(20)9-14(17)19(26)28-11-18(25)24(8-2-7-22)13-5-3-12(21)4-6-13/h3-6,9-10H,2,8,11,23H2,1H3