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

Systemtic Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18BrN2O4- MolecularWeight: 430.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN([C@@H](C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H19BrN2O4/c1-27-18-5-3-2-4-15(18)16-12-17(13-6-8-14(21)9-7-13)23(22-16)19(24)10-11-20(25)26/h2-9,17H,10-12H2,1H3,(H,25,26)/p-1/t17-/m0/s1