[4-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)iminomethyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)iminomethyl]-2-methoxy-phenyl] ester Formula: C23H20N4O7S MolecularWeight: 496.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=CC(=C(C3=O)C#N)C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/N3C(=CC(=C(C3=O)C#N)C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7S/c1-14-5-7-18(11-20(14)27(29)30)35(31,32)34-21-8-6-17(10-22(21)33-4)13-25-26-16(3)9-15(2)19(12-24)23(26)28/h5-11,13H,1-4H3/b25-13+