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

Systemtic Name: 2-chloranyl-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzamide Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)N2C

InChI

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