4-nitro-N-[3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-nitrobenzamide Traditional Name: N-(4-benzyl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-nitro-benzamide Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC(=O)N1CC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5/c27-22-15-31-21-11-8-19(24-23(28)17-6-9-20(10-7-17)26(29)30)12-18(21)14-25(22)13-16-4-2-1-3-5-16/h1-12H,13-15H2,(H,24,28)