3-azanyl-2-phenyl-2,3-dihydrochromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-2-phenyl-2,3-dihydrochromen-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-2-phenyl-chroman-4-one; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-2-phenyl-2,3-dihydrochromen-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-2-phenyl-chroman-4-one; 2,2,2-trifluoroacetic acid Formula: C17H14F3NO4 MolecularWeight: 353.29257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H13NO2.C2HF3O2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-9,13,15H,16H2;(H,6,7)