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

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-(1,2,4-triazol-1-yl)butanoic acid Openeye Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoic acid CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoic acid IUPAC Name: (2R)-4-(4-bromophenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoic acid Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-(1,2,4-triazol-1-yl)butyric acid Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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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)/t10-/m1/s1