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

Systemtic Name: 4-chloranyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

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

InChI

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