6-chloranyl-2-methyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-8-carboxylic acid

Systemtic Name: 6-chloranyl-2-methyl-3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-8-carboxylic acid Openeye Name: 6-chloro-2-methyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-8-carboxylic acid CAS Name: 6-chloro-2-methyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-8-carboxylic acid IUPAC Name: 6-chloro-2-methyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-8-carboxylic acid Traditional Name: 6-chloro-3-keto-2-methyl-4-[3-(trifluoromethyl)benzyl]-1,4-benzoxazine-8-carboxylic acid Formula: C18H13ClF3NO4 MolecularWeight: 399.74833

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C(=CC(=C2)Cl)C(=O)O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13ClF3NO4/c1-9-16(24)23(8-10-3-2-4-11(5-10)18(20,21)22)14-7-12(19)6-13(17(25)26)15(14)27-9/h2-7,9H,8H2,1H3,(H,25,26)