(6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate

Systemtic Name: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate Openeye Name: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (6-nitro-1-indazolyl)methyl ester IUPAC Name: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (6-nitroindazol-1-yl)methyl ester Formula: C14H10N4O7S MolecularWeight: 378.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O7S/c19-17(20)11-2-1-3-13(6-11)26(23,24)25-9-16-14-7-12(18(21)22)5-4-10(14)8-15-16/h1-8H,9H2