5-iodanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid Openeye Name: 5-iodo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid CAS Name: 5-iodo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid Traditional Name: 5-iodo-2-[[(E)-3-phenylacryloyl]amino]benzoic acid Formula: C16H12INO3 MolecularWeight: 393.17585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12INO3/c17-12-7-8-14(13(10-12)16(20)21)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)(H,20,21)/b9-6+