1-methyl-4-nitro-7-(phenylsulfonylmethyl)benzotriazole

Systemtic Name: 1-methyl-4-nitro-7-(phenylsulfonylmethyl)benzotriazole Openeye Name: 7-(benzenesulfonylmethyl)-1-methyl-4-nitro-benzotriazole CAS Name: 7-(benzenesulfonylmethyl)-1-methyl-4-nitrobenzotriazole IUPAC Name: 7-(benzenesulfonylmethyl)-1-methyl-4-nitrobenzotriazole Traditional Name: 7-(besylmethyl)-1-methyl-4-nitro-benzotriazole Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2N=N1)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=CC(=C2N=N1)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

InChI

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