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

Systemtic Name: 4-[(3R)-5-(4-bromophenyl)-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(4-bromophenyl)-3-[(E)-styryl]-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(4-bromophenyl)-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(4-bromophenyl)-3-[(E)-2-phenylethenyl]-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(4-bromophenyl)-5-[(E)-styryl]-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H18BrN2O3- MolecularWeight: 426.28322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3/c22-17-9-7-16(8-10-17)19-14-18(11-6-15-4-2-1-3-5-15)24(23-19)20(25)12-13-21(26)27/h1-11,14,18,23H,12-13H2,(H,26,27)/p-1/b11-6+/t18-/m1/s1