4-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3,5-bis(4-bromophenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H15Br2N2O3- MolecularWeight: 479.142

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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=C(C=C3)Br

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)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/h1-8,17H,9-11H2,(H,25,26)/p-1/t17-/m0/s1