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

Systemtic Name: 2-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-nitro-benzamide Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22ClN3O5/c1-4-9-24-17-8-5-13(10-18(17)30-12-21(2,3)20(24)27)23-19(26)15-7-6-14(25(28)29)11-16(15)22/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,26)