(4-chloranyl-3-ethyl-phenyl) 3-cyanobenzoate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 3-cyanobenzoate Openeye Name: (4-chloro-3-ethyl-phenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-chloro-3-ethyl-phenyl) ester Formula: C16H12ClNO2 MolecularWeight: 285.72498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OC(=O)C2=CC=CC(=C2)C#N)Cl

InChI

InChI=1S/C16H12ClNO2/c1-2-12-9-14(6-7-15(12)17)20-16(19)13-5-3-4-11(8-13)10-18/h3-9H,2H2,1H3