1-methyl-6-nitro-7-(phenylsulfonylmethyl)benzotriazole

Systemtic Name: 1-methyl-6-nitro-7-(phenylsulfonylmethyl)benzotriazole Openeye Name: 7-(benzenesulfonylmethyl)-1-methyl-6-nitro-benzotriazole CAS Name: 7-(benzenesulfonylmethyl)-1-methyl-6-nitrobenzotriazole IUPAC Name: 7-(benzenesulfonylmethyl)-1-methyl-6-nitrobenzotriazole Traditional Name: 7-(besylmethyl)-1-methyl-6-nitro-benzotriazole Formula: C14H12N4O4S MolecularWeight: 332.33448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])N=N1

InChI

InChI=1S/C14H12N4O4S/c1-17-14-11(9-23(21,22)10-5-3-2-4-6-10)13(18(19)20)8-7-12(14)15-16-17/h2-8H,9H2,1H3