(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-pyrazol-1-yl-butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1-pyrazolyl)butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-pyrazol-1-ylbutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-pyrazol-1-yl-butyrate Formula: C13H10BrN2O3- MolecularWeight: 322.1341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1=CN(N=C1)[C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H11BrN2O3/c14-10-4-2-9(3-5-10)12(17)8-11(13(18)19)16-7-1-6-15-16/h1-7,11H,8H2,(H,18,19)/p-1/t11-/m1/s1