1-(4-methyl-3-nitro-phenyl)sulfonylbenzotriazole

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonylbenzotriazole Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonylbenzotriazole CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonylbenzotriazole IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonylbenzotriazole Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonylbenzotriazole Formula: C13H10N4O4S MolecularWeight: 318.3079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c1-9-6-7-10(8-13(9)17(18)19)22(20,21)16-12-5-3-2-4-11(12)14-15-16/h2-8H,1H3