7-bromanyl-3-oxidanylidene-2-propan-2-yl-4-[2,2,2-tris(fluoranyl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-3-oxidanylidene-2-propan-2-yl-4-[2,2,2-tris(fluoranyl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-3-oxo-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-2-propan-2-yl-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-3-oxo-2-propan-2-yl-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-(2,2,2-trifluoroethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C15H15BrF3NO4 MolecularWeight: 410.18311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC(F)(F)F

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC(F)(F)F

InChI

InChI=1S/C15H15BrF3NO4/c1-7(2)12-13(21)20(6-15(17,18)19)11(14(22)23)9-5-8(16)3-4-10(9)24-12/h3-5,7,11-12H,6H2,1-2H3,(H,22,23)