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

Systemtic Name: methyl 3-(7-iodanyl-2-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate Openeye Name: methyl 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate CAS Name: 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(7-iodo-2-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate Traditional Name: 3-(7-iodo-5-keto-2-methyl-2,3-dihydro-1,4-benzoxazepin-4-yl)propionic acid methyl ester 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)CCC(=O)OC

Isomeric SMILES

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

InChI

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