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

Systemtic Name: 4-[5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[5-(4-bromophenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[3-(4-bromophenyl)-5-phenyl-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H16BrN2O3- MolecularWeight: 400.24594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3/c20-15-8-6-13(7-9-15)16-12-17(14-4-2-1-3-5-14)22(21-16)18(23)10-11-19(24)25/h1-9,12,17,21H,10-11H2,(H,24,25)/p-1