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

Systemtic Name: 4-[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC=CO3

InChI

InChI=1S/C17H15BrN2O4/c18-12-5-3-11(4-6-12)13-10-14(15-2-1-9-24-15)20(19-13)16(21)7-8-17(22)23/h1-6,9,14H,7-8,10H2,(H,22,23)/t14-/m0/s1