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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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