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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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