methyl 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(4-iodophenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(4-iodophenyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C18H16INO3 MolecularWeight: 421.22901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16INO3/c1-12(13-7-9-14(19)10-8-13)11-17(21)20-16-6-4-3-5-15(16)18(22)23-2/h3-11H,1-2H3,(H,20,21)/b12-11+