methyl 2-[[2-cyano-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyano-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[2-cyano-3-(3-iodo-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[2-cyano-3-(3-iodo-4,5-dimethoxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C20H17IN2O5 MolecularWeight: 492.26385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OC

InChI

InChI=1S/C20H17IN2O5/c1-26-17-10-12(9-15(21)18(17)27-2)8-13(11-22)19(24)23-16-7-5-4-6-14(16)20(25)28-3/h4-10H,1-3H3,(H,23,24)