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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC1=O

InChI

InChI=1S/C20H21N3O5/c1-3-13(2)22-11-15-10-16(6-9-18(15)28-12-19(22)24)21-20(25)14-4-7-17(8-5-14)23(26)27/h4-10,13H,3,11-12H2,1-2H3,(H,21,25)