5-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-nitro-benzamide Formula: C23H26ClN3O5 MolecularWeight: 459.92264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5/c1-14(2)9-10-26-19-8-6-16(12-20(19)32-13-23(3,4)22(26)29)25-21(28)17-11-15(24)5-7-18(17)27(30)31/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,25,28)