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

Systemtic Name: 2-methyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitro-benzamide CAS Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide IUPAC Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-nitrobenzamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-3-nitro-benzamide 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)C4=C(C(=CC=C4)[N+](=O)[O-])C)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c1-12-6-8-20-17(10-12)24-22(27)16-11-14(7-9-19(16)30-20)23-21(26)15-4-3-5-18(13(15)2)25(28)29/h3-11H,1-2H3,(H,23,26)(H,24,27)