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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-methyl-4-nitro-benzamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-methyl-4-nitro-benzamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-14(2)12-25-19-9-7-17(11-20(19)31-13-23(4,5)22(25)28)24-21(27)16-6-8-18(26(29)30)15(3)10-16/h6-11,14H,12-13H2,1-5H3,(H,24,27)