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

Systemtic Name: [5-[(E)-(aminocarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[(E)-(carbamoylhydrazono)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-5-[(E)-semicarbazonomethyl]phenyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-11-3-6-13(7-4-11)25(21,22)24-15-9-12(5-8-14(15)23-2)10-18-19-16(17)20/h3-10H,1-2H3,(H3,17,19,20)/b18-10+