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

Systemtic Name: N,N-diethyl-3-nitro-4-(3-oxidanylidene-1,2-oxazol-4-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(3-oxoisoxazol-4-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(3-oxo-4-isoxazolyl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(3-oxo-1,2-oxazol-4-yl)benzenesulfonamide Traditional Name: N,N-diethyl-4-(3-keto-4-isoxazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C2=CONC2=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C2=CONC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6S/c1-3-15(4-2)23(20,21)9-5-6-10(12(7-9)16(18)19)11-8-22-14-13(11)17/h5-8H,3-4H2,1-2H3,(H,14,17)