ethyl 4-(4-bromophenyl)-5-(furan-2-ylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-5-(furan-2-ylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-5-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-[2-furanyl(oxo)methyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-5-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-(2-furoyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H15BrN2O4/c1-2-23-17(22)15-13(10-5-7-11(18)8-6-10)14(19-20-15)16(21)12-4-3-9-24-12/h3-9,13-14,19H,2H2,1H3