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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CC=CO3

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CC=CO3

InChI

InChI=1S/C18H17BrN2O4/c19-13-8-6-12(7-9-13)14-11-15(16-3-2-10-25-16)21(20-14)17(22)4-1-5-18(23)24/h2-3,6-10,15H,1,4-5,11H2,(H,23,24)