(3R)-1-(4-bromophenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (3R)-1-(4-bromophenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-1-(4-bromophenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-(4-bromophenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-(4-bromophenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-1-(4-bromophenyl)-5-keto-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C13H11BrN5O2- MolecularWeight: 349.16274

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1[C@H](CN(C1=O)C2=CC=C(C=C2)Br)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H12BrN5O2/c14-9-1-3-10(4-2-9)19-6-8(5-11(19)20)12(21)17-13-15-7-16-18-13/h1-4,7-8H,5-6H2,(H2,15,16,17,18,21)/p-1/t8-/m1/s1