(2S)-4-(4-bromophenyl)-2-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-bromophenyl)-2-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-bromophenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-4-oxo-butanoic acid CAS Name: (2S)-4-(4-bromophenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-bromophenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-4-oxobutanoic acid Traditional Name: (2S)-4-(4-bromophenyl)-4-keto-2-[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]butyric acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O4/c1-12-18(19(25)23(22-12)15-5-3-2-4-6-15)16(20(26)27)11-17(24)13-7-9-14(21)10-8-13/h2-10,16,18H,11H2,1H3,(H,26,27)/t16-,18+/m0/s1