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

Systemtic Name: 3-[[2-cyano-3-(3-iodanyl-4-prop-2-enoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-allyloxy-3-iodo-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3-iodo-4-prop-2-enoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-iodo-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-allyloxy-3-iodo-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H15IN2O4 MolecularWeight: 474.24857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15IN2O4/c1-2-8-27-18-7-6-13(10-17(18)21)9-15(12-22)19(24)23-16-5-3-4-14(11-16)20(25)26/h2-7,9-11H,1,8H2,(H,23,24)(H,25,26)