(3-aminocarbonyl-4-chloranyl-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (3-aminocarbonyl-4-chloranyl-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (3-carbamoyl-4-chloro-phenyl)ammonium; 2,2,2-trifluoroacetate CAS Name: (3-carbamoyl-4-chlorophenyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: (3-carbamoyl-4-chlorophenyl)azanium; 2,2,2-trifluoroacetate Traditional Name: (3-carbamoyl-4-chloro-phenyl)ammonium; 2,2,2-trifluoroacetate Formula: C9H8ClF3N2O3 MolecularWeight: 284.61963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[NH3+])C(=O)N)Cl.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[NH3+])C(=O)N)Cl.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H7ClN2O.C2HF3O2/c8-6-2-1-4(9)3-5(6)7(10)11;3-2(4,5)1(6)7/h1-3H,9H2,(H2,10,11);(H,6,7)