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

Systemtic Name: [4-[(E)-[(2-bromophenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(2-bromobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(2-bromophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(2-bromobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C22H19BrN2O5S/c1-15-7-10-17(11-8-15)31(27,28)30-20-12-9-16(13-21(20)29-2)14-24-25-22(26)18-5-3-4-6-19(18)23/h3-14H,1-2H3,(H,25,26)/b24-14+