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

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

Systemtic Name:methyl 3-(7-iodanyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate
Openeye Name:methyl 3-(7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate
CAS Name:3-(7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoic acid methyl ester
IUPAC Name:methyl 3-(7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate
Traditional Name:3-(7-iodo-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propionic acid methyl ester
Formula: C13H14INO4
MolecularWeight: 375.15903
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCOC2=C(C1=O)C=C(C=C2)I


Isomeric SMILES

COC(=O)CCN1CCOC2=C(C1=O)C=C(C=C2)I


InChI

InChI=1S/C13H14INO4/c1-18-12(16)4-5-15-6-7-19-11-3-2-9(14)8-10(11)13(15)17/h2-3,8H,4-7H2,1H3


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