N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-4-22-16-11-14(8-9-17(16)28-12-20(2,3)19(22)25)21-18(24)13-6-5-7-15(10-13)23(26)27/h5-11H,4,12H2,1-3H3,(H,21,24)