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

Systemtic Name: 4-chloranyl-3-nitro-N-(5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide Openeye Name: 4-chloro-3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide CAS Name: 4-chloro-3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide IUPAC Name: 4-chloro-3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzamide Traditional Name: 4-chloro-N-(5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitro-benzamide Formula: C16H12ClN3O5 MolecularWeight: 361.73658

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C16H12ClN3O5/c17-12-3-1-9(7-13(12)20(23)24)15(21)19-10-2-4-14-11(8-10)16(22)18-5-6-25-14/h1-4,7-8H,5-6H2,(H,18,22)(H,19,21)