[2-methoxy-4-[(E)-(oxamoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(oxamoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(oxamoylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-(oxamoylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(oxamoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-(oxamoylhydrazono)methyl]phenyl] ester Formula: C17H16N4O8S MolecularWeight: 436.39594

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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)C(=O)N)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)C(=O)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S/c1-10-3-5-12(8-13(10)21(24)25)30(26,27)29-14-6-4-11(7-15(14)28-2)9-19-20-17(23)16(18)22/h3-9H,1-2H3,(H2,18,22)(H,20,23)/b19-9+