[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3/c19-16-3-1-2-13(10-16)8-9-21-17(22)12-24-18(23)15-6-4-14(11-20)5-7-15/h1-7,10H,8-9,12H2,(H,21,22)