[2-bromanyl-4-[(E)-[(3-iodanylphenyl)carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-[(3-iodanylphenyl)carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-bromo-4-[(E)-[(3-iodobenzoyl)hydrazono]methyl]-6-methoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-bromo-4-[(E)-[[(3-iodophenyl)-oxomethyl]hydrazinylidene]methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-[(3-iodobenzoyl)hydrazinylidene]methyl]-6-methoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-bromo-4-[(E)-[(3-iodobenzoyl)hydrazono]methyl]-6-methoxy-phenyl] ester Formula: C21H15BrIN3O7S MolecularWeight: 660.23317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)I)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)I)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrIN3O7S/c1-32-19-10-13(12-24-25-21(27)14-3-2-4-15(23)11-14)9-18(22)20(19)33-34(30,31)17-7-5-16(6-8-17)26(28)29/h2-12H,1H3,(H,25,27)/b24-12+