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

Systemtic Name: 2-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-5-nitro-benzamide Formula: C23H26ClN3O5 MolecularWeight: 459.92264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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