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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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