[4-[(E)-[(2,5-dimethylfuran-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-[(2,5-dimethylfuran-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[[(2,5-dimethyl-3-furanyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[(2,5-dimethyl-3-furoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H21N3O8S MolecularWeight: 487.48244

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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=NNC(=O)C3=C(OC(=C3)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/NC(=O)C3=C(OC(=C3)C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O8S/c1-13-5-7-17(11-19(13)25(27)28)34(29,30)33-20-8-6-16(10-21(20)31-4)12-23-24-22(26)18-9-14(2)32-15(18)3/h5-12H,1-4H3,(H,24,26)/b23-12+