N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-4-23-17-10-7-15(12-18(17)29-13-21(2,3)20(23)26)22-19(25)11-14-5-8-16(9-6-14)24(27)28/h5-10,12H,4,11,13H2,1-3H3,(H,22,25)