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

Systemtic Name: ethyl 5-(3-bromophenyl)carbonyl-4-(furan-2-yl)-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(3-bromobenzoyl)-4-(2-furyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 5-[(3-bromophenyl)-oxomethyl]-4-(2-furanyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-bromobenzoyl)-4-(furan-2-yl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 5-(3-bromobenzoyl)-4-(2-furyl)-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=CO2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NNC(C1C2=CC=CO2)C(=O)C3=CC(=CC=C3)Br

InChI

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