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

Systemtic Name: N-(2-methyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-nitro-benzenesulfonamide CAS Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-methyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(5-keto-2-methyl-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-4-nitro-benzenesulfonamide Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CNC(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S/c1-10-9-17-16(20)14-8-11(2-7-15(14)25-10)18-26(23,24)13-5-3-12(4-6-13)19(21)22/h2-8,10,18H,9H2,1H3,(H,17,20)