4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(5-tert-butyl-3-oxidanylidene-1,2-oxazol-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(5-tert-butyl-3-oxo-isoxazol-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(5-tert-butyl-3-oxo-2-isoxazolyl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(5-tert-butyl-3-oxo-1,2-oxazol-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(5-tert-butyl-3-keto-4-isoxazolin-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6S/c1-6-18(7-2)27(24,25)12-8-9-13(14(10-12)20(22)23)19-16(21)11-15(26-19)17(3,4)5/h8-11H,6-7H2,1-5H3