N,N-diethyl-3-[(4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxidanylidene-1,3-oxazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[(4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxidanylidene-1,3-oxazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[(4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-5-oxo-oxazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[(4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxo-2-oxazolyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[(4E)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxo-1,3-oxazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[(4E)-5-keto-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-2-yl]benzenesulfonamide Formula: C21H19N3O8S MolecularWeight: 473.45586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NC(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=N/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)/C(=O)O2

InChI

InChI=1S/C21H19N3O8S/c1-3-23(4-2)33(28,29)15-7-5-6-13(8-15)20-22-16(21(25)32-20)9-14-10-18-19(31-12-30-18)11-17(14)24(26)27/h5-11H,3-4,12H2,1-2H3/b16-9+