3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2H-2-benzazepine-4-carboxylic acid

Systemtic Name: 3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2H-2-benzazepine-4-carboxylic acid Openeye Name: 3-(2,2,2-trifluoroacetyl)oxy-2H-2-benzazepine-4-carboxylic acid CAS Name: 3-(2,2,2-trifluoro-1-oxoethoxy)-2H-2-benzazepine-4-carboxylic acid IUPAC Name: 3-(2,2,2-trifluoroacetyl)oxy-2H-2-benzazepine-4-carboxylic acid Traditional Name: 3-(2,2,2-trifluoroacetyl)oxy-2H-2-benzazepine-4-carboxylic acid Formula: C13H8F3NO4 MolecularWeight: 299.20213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(NC=C2C=C1)OC(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC2=CC(=C(NC=C2C=C1)OC(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H8F3NO4/c14-13(15,16)12(20)21-10-9(11(18)19)5-7-3-1-2-4-8(7)6-17-10/h1-6,17H,(H,18,19)