(5-nitro-1H-indazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-nitro-1H-indazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-nitro-1H-indazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-1H-indazol-3-yl) ester IUPAC Name: (5-nitro-1H-indazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-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=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

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