7-chloranyl-2-ethyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-2-ethyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-2-ethyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-2-ethyl-3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H17ClF3NO4 MolecularWeight: 427.80149

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17ClF3NO4/c1-2-15-18(26)25(10-11-4-3-5-12(8-11)20(22,23)24)17(19(27)28)14-9-13(21)6-7-16(14)29-15/h3-9,15,17H,2,10H2,1H3,(H,27,28)