[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-nitrobenzenesulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c1-15-13-18(6-3-16-4-9-19(29-2)10-5-16)22(21(24)14-15)30-31(27,28)20-11-7-17(8-12-20)23(25)26/h3-14H,1-2H3/b6-3+