2-chloranyl-5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 2-chloro-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 2-chloro-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 2-chloro-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: 2-chloro-N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-benzamide Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(C1=O)C)C

InChI

InChI=1S/C19H18ClN3O5/c1-19(2)10-28-16-8-11(4-7-15(16)22(3)18(19)25)21-17(24)13-9-12(23(26)27)5-6-14(13)20/h4-9H,10H2,1-3H3,(H,21,24)