7-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 7-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazine-2-carboxylic acid Openeye Name: 7-[2-chloro-4-(trifluoromethyl)phenoxy]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylic acid CAS Name: 7-[2-chloro-4-(trifluoromethyl)phenoxy]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 7-[2-chloro-4-(trifluoromethyl)phenoxy]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carboxylic acid Traditional Name: 7-[2-chloro-4-(trifluoromethyl)phenoxy]-3-keto-2,4-dimethyl-1,4-benzoxazine-2-carboxylic acid Formula: C18H13ClF3NO5 MolecularWeight: 415.74773

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C)C(=O)O

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C)C(=O)O

InChI

InChI=1S/C18H13ClF3NO5/c1-17(16(25)26)15(24)23(2)12-5-4-10(8-14(12)28-17)27-13-6-3-9(7-11(13)19)18(20,21)22/h3-8H,1-2H3,(H,25,26)