(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-(1,2,4-triazol-1-yl)butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-(1,2,4-triazol-1-yl)butanoate Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoate IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-(1,2,4-triazol-1-yl)butyrate Formula: C12H9BrN3O3- MolecularWeight: 323.12216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)[O-])N2C=NC=N2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[C@H](C(=O)[O-])N2C=NC=N2)Br

InChI

InChI=1S/C12H10BrN3O3/c13-9-3-1-8(2-4-9)11(17)5-10(12(18)19)16-7-14-6-15-16/h1-4,6-7,10H,5H2,(H,18,19)/p-1/t10-/m1/s1