[6-[(E)-2-(5-ethoxy-2-methoxy-phenyl)ethenyl]-4-methyl-2-oxidanylidene-1H-pyridin-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [6-[(E)-2-(5-ethoxy-2-methoxy-phenyl)ethenyl]-4-methyl-2-oxidanylidene-1H-pyridin-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [6-[(E)-2-(5-ethoxy-2-methoxy-phenyl)vinyl]-4-methyl-2-oxo-1H-pyridin-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [6-[(E)-2-(5-ethoxy-2-methoxyphenyl)ethenyl]-4-methyl-2-oxo-1H-pyridin-3-yl] ester IUPAC Name: [6-[(E)-2-(5-ethoxy-2-methoxyphenyl)ethenyl]-4-methyl-2-oxo-1H-pyridin-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [6-[(E)-2-(5-ethoxy-2-methoxy-phenyl)vinyl]-2-keto-4-methyl-1H-pyridin-3-yl] ester Formula: C23H21ClN2O8S MolecularWeight: 520.93944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OC)C=CC2=CC(=C(C(=O)N2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OC)/C=C/C2=CC(=C(C(=O)N2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C23H21ClN2O8S/c1-4-33-17-7-10-21(32-3)15(12-17)5-6-16-11-14(2)22(23(27)25-16)34-35(30,31)18-8-9-19(24)20(13-18)26(28)29/h5-13H,4H2,1-3H3,(H,25,27)/b6-5+