5-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methoxy-benzamide Openeye Name: 5-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methoxy-benzamide CAS Name: 5-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methoxybenzamide IUPAC Name: 5-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methoxybenzamide Traditional Name: 5-chloro-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methoxy-benzamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C21H23ClN2O4/c1-5-24-16-8-7-14(11-18(16)28-12-21(2,3)20(24)26)23-19(25)15-10-13(22)6-9-17(15)27-4/h6-11H,5,12H2,1-4H3,(H,23,25)