(3S)-N-(3-iodanyl-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(3-iodanyl-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(3-iodo-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(3-iodo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(3-iodo-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(3-iodo-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H14INO3 MolecularWeight: 395.19173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2COC3=CC=CC=C3O2)I

InChI

InChI=1S/C16H14INO3/c1-10-6-7-11(8-12(10)17)18-16(19)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)/t15-/m0/s1