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

Systemtic Name: [4-[(E)-(aminocarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(carbamoylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-semicarbazonomethyl]phenyl] ester Formula: C16H16N4O7S MolecularWeight: 408.38584

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

InChI

InChI=1S/C16H16N4O7S/c1-10-3-5-12(8-13(10)20(22)23)28(24,25)27-14-6-4-11(7-15(14)26-2)9-18-19-16(17)21/h3-9H,1-2H3,(H3,17,19,21)/b18-9+