[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c1-30-18-12-14(13-22-24-21-23-15-6-2-4-8-19(15)32-21)10-11-17(18)31-33(28,29)20-9-5-3-7-16(20)25(26)27/h2-13H,1H3,(H,23,24)/b22-13+