3-[[(E)-2-cyano-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 3-[[(E)-2-cyano-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 3-[[(E)-2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[(E)-2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)acryloyl]amino]benzoate Formula: C20H16IN2O5- MolecularWeight: 491.25591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)[O-])I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)[O-])I)OC

InChI

InChI=1S/C20H17IN2O5/c1-3-28-17-9-12(8-16(21)18(17)27-2)7-14(11-22)19(24)23-15-6-4-5-13(10-15)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)/p-1/b14-7+