2-cyanopropan-2-yl 4-chloranylbenzoate

Systemtic Name: 2-cyanopropan-2-yl 4-chloranylbenzoate Openeye Name: (1-cyano-1-methyl-ethyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (1-cyano-1-methyl-ethyl) ester Formula: C11H10ClNO2 MolecularWeight: 223.6556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO2/c1-11(2,7-13)15-10(14)8-3-5-9(12)6-4-8/h3-6H,1-2H3