ethyl 9-iodanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-iodanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-iodo-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate CAS Name: 9-iodo-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-iodo-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate Traditional Name: 9-iodo-5-keto-3,4-dihydro-2H-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H13IO4 MolecularWeight: 360.14439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCOC2=C(C1=O)C=CC=C2I

Isomeric SMILES

CCOC(=O)C1CCOC2=C(C1=O)C=CC=C2I

InChI

InChI=1S/C13H13IO4/c1-2-17-13(16)9-6-7-18-12-8(11(9)15)4-3-5-10(12)14/h3-5,9H,2,6-7H2,1H3