(4-cyano-2-iodanyl-6-methoxy-phenyl) 3-methylbenzoate

Systemtic Name: (4-cyano-2-iodanyl-6-methoxy-phenyl) 3-methylbenzoate Openeye Name: (4-cyano-2-iodo-6-methoxy-phenyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4-cyano-2-iodo-6-methoxyphenyl) ester IUPAC Name: (4-cyano-2-iodo-6-methoxyphenyl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-cyano-2-iodo-6-methoxy-phenyl) ester Formula: C16H12INO3 MolecularWeight: 393.17585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2I)C#N)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2I)C#N)OC

InChI

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