2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(4-iodophenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid Formula: C17H14INO3 MolecularWeight: 407.20243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(C=C2)I

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC=C(C=C2)I

InChI

InChI=1S/C17H14INO3/c1-11(12-6-8-13(18)9-7-12)10-16(20)19-15-5-3-2-4-14(15)17(21)22/h2-10H,1H3,(H,19,20)(H,21,22)/b11-10+