2-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C20H20ClN3O5/c1-4-23-16-9-12(5-8-17(16)29-11-20(2,3)19(23)26)22-18(25)14-10-13(24(27)28)6-7-15(14)21/h5-10H,4,11H2,1-3H3,(H,22,25)