2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxo-acetic acid CAS Name: 2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoacetic acid IUPAC Name: 2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoacetic acid Traditional Name: 2-(7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-keto-acetic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(CCO2)C(=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(CCO2)C(=O)C(=O)O)OC

InChI

InChI=1S/C13H15NO6/c1-18-10-5-8-7-14(12(15)13(16)17)3-4-20-9(8)6-11(10)19-2/h5-6H,3-4,7H2,1-2H3,(H,16,17)