[2-bromanyl-6-ethoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C23H20BrN3O7S MolecularWeight: 562.3898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H20BrN3O7S/c1-3-33-21-12-16(14-25-26-23(28)17-5-4-6-18(13-17)27(29)30)11-20(24)22(21)34-35(31,32)19-9-7-15(2)8-10-19/h4-14H,3H2,1-2H3,(H,26,28)/b25-14+