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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O)[N+](=O)[O-]

InChI

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