[2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(2-thiophen-2-ylethanoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-[[2-(2-thienyl)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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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)CC3=CC=CS3)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)CC3=CC=CS3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S2/c1-14-5-7-17(12-18(14)24(26)27)33(28,29)31-19-8-6-15(10-20(19)30-2)13-22-23-21(25)11-16-4-3-9-32-16/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b22-13+