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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=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=C(C=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)12-25-18-9-8-17(11-20(18)31-13-23(4,5)22(25)28)24-21(27)16-7-6-15(3)19(10-16)26(29)30/h6-11,14H,12-13H2,1-5H3,(H,24,27)