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

Systemtic Name: [4-[(E)-(cyclopropylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(cyclopropanecarbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[cyclopropyl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(cyclopropanecarbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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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)C3CC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3CC3)OC

InChI

InChI=1S/C19H20N2O5S/c1-13-3-8-16(9-4-13)27(23,24)26-17-10-5-14(11-18(17)25-2)12-20-21-19(22)15-6-7-15/h3-5,8-12,15H,6-7H2,1-2H3,(H,21,22)/b20-12+