4-[3,5-bis(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3,5-bis(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3,5-bis(4-bromophenyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H16Br2N2O3 MolecularWeight: 480.14994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C=C(NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2C=C(NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C19H16Br2N2O3/c20-14-5-1-12(2-6-14)16-11-17(13-3-7-15(21)8-4-13)23(22-16)18(24)9-10-19(25)26/h1-8,11,17,22H,9-10H2,(H,25,26)