3-azanyl-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one; 2,2,2-trifluoroacetic acid Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC2=CC=CC=C2O1)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1C(C(=O)NC2=CC=CC=C2O1)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H12N2O2.C2HF3O2/c1-6-9(11)10(13)12-7-4-2-3-5-8(7)14-6;3-2(4,5)1(6)7/h2-6,9H,11H2,1H3,(H,12,13);(H,6,7)