[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C16H13BrN2O4 MolecularWeight: 377.18942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H13BrN2O4/c17-14-7-6-13(23-14)16(21)22-10-15(20)19-9-8-12(18-19)11-4-2-1-3-5-11/h1-7H,8-10H2