N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C22H17N3O5/c1-13-2-8-20-18(10-13)24-22(27)17-12-15(5-9-19(17)30-20)23-21(26)11-14-3-6-16(7-4-14)25(28)29/h2-10,12H,11H2,1H3,(H,23,26)(H,24,27)