(4-cyano-2-ethoxy-6-iodanyl-phenyl) benzoate

Systemtic Name: (4-cyano-2-ethoxy-6-iodanyl-phenyl) benzoate Openeye Name: (4-cyano-2-ethoxy-6-iodo-phenyl) benzoate CAS Name: benzoic acid (4-cyano-2-ethoxy-6-iodophenyl) ester IUPAC Name: (4-cyano-2-ethoxy-6-iodophenyl) benzoate Traditional Name: benzoic acid (4-cyano-2-ethoxy-6-iodo-phenyl) ester Formula: C16H12INO3 MolecularWeight: 393.17585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)I)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)I)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H12INO3/c1-2-20-14-9-11(10-18)8-13(17)15(14)21-16(19)12-6-4-3-5-7-12/h3-9H,2H2,1H3