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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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