methyl 5-chloranyl-2-(3-cyanopropoxy)benzoate

Systemtic Name: methyl 5-chloranyl-2-(3-cyanopropoxy)benzoate Openeye Name: methyl 5-chloro-2-(3-cyanopropoxy)benzoate CAS Name: 5-chloro-2-(3-cyanopropoxy)benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-(3-cyanopropoxy)benzoate Traditional Name: 5-chloro-2-(3-cyanopropoxy)benzoic acid methyl ester Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)OCCCC#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)OCCCC#N

InChI

InChI=1S/C12H12ClNO3/c1-16-12(15)10-8-9(13)4-5-11(10)17-7-3-2-6-14/h4-5,8H,2-3,7H2,1H3