[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H15BrN2O4/c19-13-6-7-16(22)14(10-13)18(24)25-11-17(23)21-9-8-15(20-21)12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2