[4-[(E)-[(4-fluorophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[(4-fluorobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[[(4-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[(4-fluorobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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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=CC=C(C=C3)F)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=CC=C(C=C3)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O7S/c1-14-3-9-18(12-19(14)26(28)29)34(30,31)33-20-10-4-15(11-21(20)32-2)13-24-25-22(27)16-5-7-17(23)8-6-16/h3-13H,1-2H3,(H,25,27)/b24-13+