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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-5-11-24-18-12-15(9-10-19(18)30-13-22(3,4)21(24)27)23-20(26)16-7-6-8-17(14(16)2)25(28)29/h6-10,12H,5,11,13H2,1-4H3,(H,23,26)