[2-methoxy-4-[(Z)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazono]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(Z)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(Z)-[(4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C20H19N5O7S MolecularWeight: 473.45916

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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(=O)C=C(N3)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(=O)C=C(N3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7S/c1-12-4-6-15(10-16(12)25(27)28)33(29,30)32-17-7-5-14(9-18(17)31-3)11-21-24-20-22-13(2)8-19(26)23-20/h4-11H,1-3H3,(H2,22,23,24,26)/b21-11-