[2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-1-piperidyliminomethyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-1-piperidinyliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-piperidin-1-yliminomethyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-piperidinoiminomethyl]phenyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2CCCCC2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2CCCCC2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-27-19-12-15(14-20-21-10-3-2-4-11-21)8-9-18(19)28-29(25,26)17-7-5-6-16(13-17)22(23)24/h5-9,12-14H,2-4,10-11H2,1H3/b20-14-