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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(4-nitrophenyl)acetamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C23H27N3O5/c1-15(2)13-25-19-12-17(7-10-20(19)31-14-23(3,4)22(25)28)24-21(27)11-16-5-8-18(9-6-16)26(29)30/h5-10,12,15H,11,13-14H2,1-4H3,(H,24,27)