[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C15H11N5O5S MolecularWeight: 373.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C=NN3C=NN=C3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)/C=N\N3C=NN=C3

InChI

InChI=1S/C15H11N5O5S/c21-20(22)14-3-1-2-4-15(14)26(23,24)25-13-7-5-12(6-8-13)9-18-19-10-16-17-11-19/h1-11H/b18-9-