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

Systemtic Name: [2-[(E)-2-(5-ethoxy-2-methoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-[(E)-2-(5-ethoxy-2-methoxy-phenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-[(E)-2-(5-ethoxy-2-methoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(5-ethoxy-2-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-[(E)-2-(5-ethoxy-2-methoxy-phenyl)vinyl]-6-keto-4-methyl-1-pyridyl] 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(=CC(=O)N2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OC)/C=C/C2=CC(=CC(=O)N2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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