2-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-nitro-benzamide Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O5/c1-2-25-18-5-3-4-6-20(18)31-19-10-7-13(11-16(19)22(25)28)24-21(27)15-9-8-14(26(29)30)12-17(15)23/h3-12H,2H2,1H3,(H,24,27)