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

Systemtic Name: 5-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-nitro-benzamide Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C22H24ClN3O5/c1-13(2)11-25-18-10-15(6-8-19(18)31-12-22(3,4)21(25)28)24-20(27)16-9-14(23)5-7-17(16)26(29)30/h5-10,13H,11-12H2,1-4H3,(H,24,27)