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

Systemtic Name: 3-nitro-N-(5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: N-(5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6S/c19-15-13-8-10(4-5-14(13)24-7-6-16-15)17-25(22,23)12-3-1-2-11(9-12)18(20)21/h1-5,8-9,17H,6-7H2,(H,16,19)