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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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