5-chloranyl-N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(3-ethyl-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-2-nitro-benzamide Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C18H16ClN3O5/c1-2-11-9-27-16-6-4-12(8-14(16)18(24)20-11)21-17(23)13-7-10(19)3-5-15(13)22(25)26/h3-8,11H,2,9H2,1H3,(H,20,24)(H,21,23)