N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(4-nitrophenyl)acetamide Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C24H29N3O5/c1-16(2)11-12-26-20-14-18(7-10-21(20)32-15-24(3,4)23(26)29)25-22(28)13-17-5-8-19(9-6-17)27(30)31/h5-10,14,16H,11-13,15H2,1-4H3,(H,25,28)