[4-[(Z)-(furan-2-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(Z)-(furan-2-ylcarbonylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(Z)-(furan-2-carbonylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(Z)-[[2-furanyl(oxo)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(Z)-(2-furoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H17N3O8S MolecularWeight: 459.42928

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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)C3=CC=CO3)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)C3=CC=CO3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8S/c1-13-5-7-15(11-16(13)23(25)26)32(27,28)31-17-8-6-14(10-19(17)29-2)12-21-22-20(24)18-4-3-9-30-18/h3-12H,1-2H3,(H,22,24)/b21-12-