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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

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