[2-(3-chloranyl-4-methoxy-phenyl)-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-4-methyl-6-oxo-1-pyridyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(3-chloro-4-methoxyphenyl)-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-4-methyl-6-oxopyridin-1-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(3-chloro-4-methoxy-phenyl)-6-keto-4-methyl-1-pyridyl] ester Formula: C19H15ClN2O7S MolecularWeight: 450.8496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7S/c1-12-9-17(13-3-8-18(28-2)16(20)11-13)21(19(23)10-12)29-30(26,27)15-6-4-14(5-7-15)22(24)25/h3-11H,1-2H3