(2-cyanophenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (2-cyanophenyl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (2-cyanobenzyl) ester Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2C#N)Cl)OC

InChI

InChI=1S/C17H14ClNO4/c1-21-15-8-13(7-14(18)16(15)22-2)17(20)23-10-12-6-4-3-5-11(12)9-19/h3-8H,10H2,1-2H3