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

Systemtic Name: 3-[[2-cyano-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C20H17IN2O5 MolecularWeight: 492.26385

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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)