[2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(tert-butoxycarbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(tert-butoxycarbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)OC(C)(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)OC(C)(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O8S/c1-13-6-8-15(11-16(13)23(25)26)32(27,28)31-17-9-7-14(10-18(17)29-5)12-21-22-19(24)30-20(2,3)4/h6-12H,1-5H3,(H,22,24)/b21-12+