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

Systemtic Name: [4-[(E)-(aminocarbonylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(carbamoylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-semicarbazonomethyl]phenyl] ester Formula: C15H14N4O6S MolecularWeight: 378.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O6S/c1-10-2-7-13(8-14(10)19(21)22)26(23,24)25-12-5-3-11(4-6-12)9-17-18-15(16)20/h2-9H,1H3,(H3,16,18,20)/b17-9+