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

Systemtic Name: [2-[(E)-(aminocarbonylhydrazinylidene)methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-(carbamoylhydrazono)methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-[(E)-(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-6-[(E)-semicarbazonomethyl]phenyl] ester Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=NNC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=N/NC(=O)N

InChI

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