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

Systemtic Name: 3-[[2-cyano-3-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-iodophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)acryloyl]amino]benzoic acid Formula: C19H15IN2O5 MolecularWeight: 478.23727

Click to see the large picture

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)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)I)O

InChI

InChI=1S/C19H15IN2O5/c1-2-27-16-8-11(7-15(20)17(16)23)6-13(10-21)18(24)22-14-5-3-4-12(9-14)19(25)26/h3-9,23H,2H2,1H3,(H,22,24)(H,25,26)