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

Systemtic Name: methyl 4-(3-bromophenyl)-5-(furan-2-ylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: methyl 4-(3-bromophenyl)-5-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 4-(3-bromophenyl)-5-[2-furanyl(oxo)methyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromophenyl)-5-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 4-(3-bromophenyl)-5-(2-furoyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H13BrN2O4 MolecularWeight: 377.18942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O4/c1-22-16(21)14-12(9-4-2-5-10(17)8-9)13(18-19-14)15(20)11-6-3-7-23-11/h2-8,12-13,18H,1H3