1H-indazol-3-yl 4-methyl-2-nitro-benzenesulfonate

Systemtic Name: 1H-indazol-3-yl 4-methyl-2-nitro-benzenesulfonate Openeye Name: 1H-indazol-3-yl 4-methyl-2-nitro-benzenesulfonate CAS Name: 4-methyl-2-nitrobenzenesulfonic acid 1H-indazol-3-yl ester IUPAC Name: 1H-indazol-3-yl 4-methyl-2-nitrobenzenesulfonate Traditional Name: 4-methyl-2-nitro-benzenesulfonic acid 1H-indazol-3-yl ester Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=NNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=NNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S/c1-9-6-7-13(12(8-9)17(18)19)23(20,21)22-14-10-4-2-3-5-11(10)15-16-14/h2-8H,1H3,(H,15,16)