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

Systemtic Name: [4-bromanyl-2-[(E)-[(2-oxidanyl-2-phenyl-ethanoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-[(2-hydroxy-2-phenyl-acetyl)hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(mandeloylhydrazono)methyl]phenyl] ester Formula: C23H19BrN2O4 MolecularWeight: 467.31196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C23H19BrN2O4/c1-15-6-5-9-17(12-15)23(29)30-20-11-10-19(24)13-18(20)14-25-26-22(28)21(27)16-7-3-2-4-8-16/h2-14,21,27H,1H3,(H,26,28)/b25-14+