4-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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