[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H17IN2O5 MolecularWeight: 492.26385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)I)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)I)OCC#N

InChI

InChI=1S/C20H17IN2O5/c1-26-18-11-14(5-7-17(18)27-10-9-22)6-8-20(25)28-13-19(24)23-16-4-2-3-15(21)12-16/h2-8,11-12H,10,13H2,1H3,(H,23,24)