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

Systemtic Name: 5-iodanyl-2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-iodo-benzoic acid CAS Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-5-iodobenzoic acid Traditional Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]-5-iodo-benzoic acid Formula: C17H14INO5 MolecularWeight: 439.20123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)I)C(=O)O)O

InChI

InChI=1S/C17H14INO5/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)19-13-5-4-11(18)9-12(13)17(22)23/h2-9,20H,1H3,(H,19,21)(H,22,23)/b7-3+