[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-cyanobenzoate

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-cyanobenzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C18H11ClN2O3 MolecularWeight: 338.74454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H11ClN2O3/c19-15-6-4-13(5-7-15)17-9-16(24-21-17)11-23-18(22)14-3-1-2-12(8-14)10-20/h1-9H,11H2