5-nitro-4-(phenylsulfonylmethyl)-2H-benzotriazole

Systemtic Name: 5-nitro-4-(phenylsulfonylmethyl)-2H-benzotriazole Openeye Name: 4-(benzenesulfonylmethyl)-5-nitro-2H-benzotriazole CAS Name: 4-(benzenesulfonylmethyl)-5-nitro-2H-benzotriazole IUPAC Name: 4-(benzenesulfonylmethyl)-5-nitro-2H-benzotriazole Traditional Name: 4-(besylmethyl)-5-nitro-2H-benzotriazole Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=NNN=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=NNN=C32)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c18-17(19)12-7-6-11-13(15-16-14-11)10(12)8-22(20,21)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,16)