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

Systemtic Name: (1-methyl-5-nitro-indazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-5-nitro-indazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-5-nitro-3-indazolyl) ester IUPAC Name: (1-methyl-5-nitroindazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-5-nitro-indazol-3-yl) ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5S/c1-10-3-6-12(7-4-10)24(21,22)23-15-13-9-11(18(19)20)5-8-14(13)17(2)16-15/h3-9H,1-2H3