methyl 2-(9-oxidanyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethanoate

Systemtic Name: methyl 2-(9-oxidanyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethanoate Openeye Name: methyl 2-(9-hydroxy-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate CAS Name: 2-(9-hydroxy-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetic acid methyl ester IUPAC Name: methyl 2-(9-hydroxy-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate Traditional Name: 2-(9-hydroxy-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C2C(=C1)C(=O)NCCO2)O

Isomeric SMILES

COC(=O)CC1=CC(=C2C(=C1)C(=O)NCCO2)O

InChI

InChI=1S/C12H13NO5/c1-17-10(15)6-7-4-8-11(9(14)5-7)18-3-2-13-12(8)16/h4-5,14H,2-3,6H2,1H3,(H,13,16)