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

Systemtic Name: 5-chloranyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzamide Formula: C21H14ClN3O5 MolecularWeight: 423.80596

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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)Cl)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O5/c1-11-2-6-19-16(8-11)24-21(27)15-10-13(4-7-18(15)30-19)23-20(26)14-9-12(22)3-5-17(14)25(28)29/h2-10H,1H3,(H,23,26)(H,24,27)