[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(Z)-[(4,6-dimethyl-2-pyrimidinyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H21N5O6S MolecularWeight: 471.48634

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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=NNC3=NC(=CC(=N3)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\NC3=NC(=CC(=N3)C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-13-5-7-17(11-18(13)26(27)28)33(29,30)32-19-8-6-16(10-20(19)31-4)12-22-25-21-23-14(2)9-15(3)24-21/h5-12H,1-4H3,(H,23,24,25)/b22-12-