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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)CC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)CC

InChI

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