4-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-3-methyl-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methyl-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-4-keto-3-methyl-butyric acid Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CC(CC(=O)O)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C18H17BrN2O4/c1-11(9-17(22)23)18(24)21-15(16-3-2-8-25-16)10-14(20-21)12-4-6-13(19)7-5-12/h2-8,11,15H,9-10H2,1H3,(H,22,23)