[4-bromanyl-2-[(E)-[(2-oxidanyl-2-phenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(2-oxidanyl-2-phenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-[(E)-[(2-hydroxy-2-phenyl-acetyl)hydrazono]methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-[(2-hydroxy-1-oxo-2-phenylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(mandeloylhydrazono)methyl]phenyl] ester Formula: C24H21BrN2O6 MolecularWeight: 513.33734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C(C3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C3=CC=CC=C3)O)OC

InChI

InChI=1S/C24H21BrN2O6/c1-31-20-10-8-16(13-21(20)32-2)24(30)33-19-11-9-18(25)12-17(19)14-26-27-23(29)22(28)15-6-4-3-5-7-15/h3-14,22,28H,1-2H3,(H,27,29)/b26-14+