N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole-5-sulfonamide CAS Name: N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-5-benzotriazolesulfonamide IUPAC Name: N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzotriazole-5-sulfonamide Formula: C19H21N5O7S MolecularWeight: 463.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H21N5O7S/c1-3-22(4-2)32(27,28)16-5-6-17-18(9-16)23(21-20-17)31-11-14-8-15(24(25)26)7-13-10-29-12-30-19(13)14/h5-9H,3-4,10-12H2,1-2H3