[4-[(E)-(aminocarbonylhydrazinylidene)methyl]-2-chloranyl-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(aminocarbonylhydrazinylidene)methyl]-2-chloranyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(carbamoylhydrazono)methyl]-2-chloro-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-semicarbazonomethyl]phenyl] ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=NNC(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=N/NC(=O)N)OC

InChI

InChI=1S/C16H16ClN3O5S/c1-10-3-5-12(6-4-10)26(22,23)25-15-13(17)7-11(8-14(15)24-2)9-19-20-16(18)21/h3-9H,1-2H3,(H3,18,20,21)/b19-9+