[4-[(E)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[(3-bromophenyl)carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(3-bromobenzoyl)hydrazono]methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(3-bromobenzoyl)hydrazono]methyl]-2-ethoxy-phenyl] ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H21BrN2O5S/c1-3-30-22-13-17(15-25-26-23(27)18-5-4-6-19(24)14-18)9-12-21(22)31-32(28,29)20-10-7-16(2)8-11-20/h4-15H,3H2,1-2H3,(H,26,27)/b25-15+