potassium [4-bromanyl-3-(phenylmethoxycarbonylamino)phenyl]-tris(fluoranyl)boranuide

Systemtic Name: potassium [4-bromanyl-3-(phenylmethoxycarbonylamino)phenyl]-tris(fluoranyl)boranuide Openeye Name: potassium [3-(benzyloxycarbonylamino)-4-bromo-phenyl]-trifluoro-boranuide CAS Name: potassium [4-bromo-3-(phenylmethoxycarbonylamino)phenyl]-trifluoroboranuide IUPAC Name: potassium [4-bromo-3-(phenylmethoxycarbonylamino)phenyl]-trifluoroboranuide Traditional Name: potassium [3-(benzyloxycarbonylamino)-4-bromo-phenyl]-trifluoro-boranuide Formula: C14H11BBrF3KNO2 MolecularWeight: 412.05115

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2)(F)(F)F.[K+]

Isomeric SMILES

[B-](C1=CC(=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2)(F)(F)F.[K+]

InChI

InChI=1S/C14H11BBrF3NO2.K/c16-12-7-6-11(15(17,18)19)8-13(12)20-14(21)22-9-10-4-2-1-3-5-10;/h1-8H,9H2,(H,20,21);/q-1;+1