3-(7-iodanyl-2-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)butanoic acid

Systemtic Name: 3-(7-iodanyl-2-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)butanoic acid Openeye Name: 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)butanoic acid CAS Name: 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)butanoic acid IUPAC Name: 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)butanoic acid Traditional Name: 3-(7-iodo-5-keto-2-methyl-2,3-dihydro-1,4-benzoxazepin-4-yl)butyric acid Formula: C14H16INO4 MolecularWeight: 389.18561

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C2=C(O1)C=CC(=C2)I)C(C)CC(=O)O

Isomeric SMILES

CC1CN(C(=O)C2=C(O1)C=CC(=C2)I)C(C)CC(=O)O

InChI

InChI=1S/C14H16INO4/c1-8(5-13(17)18)16-7-9(2)20-12-4-3-10(15)6-11(12)14(16)19/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,18)