4-[(3S)-5-(4-bromophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-bromophenyl)-3-(p-tolyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-bromophenyl)-3-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(4-bromophenyl)-5-(p-tolyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18BrN2O3- MolecularWeight: 414.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c1-13-2-4-15(5-3-13)18-12-17(14-6-8-16(21)9-7-14)22-23(18)19(24)10-11-20(25)26/h2-9,12,18,22H,10-11H2,1H3,(H,25,26)/p-1/t18-/m0/s1