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

Systemtic Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C=NN=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-26-15-8-12(9-19-20-10-17-18-11-20)6-7-14(15)27-28(24,25)16-5-3-2-4-13(16)21(22)23/h2-11H,1H3/b19-9-