3-[3,5-bis(trifluoromethyl)phenyl]-6-chloranyl-4-oxidanylidene-2H-1,3-benzoxazine-2-carboxylic acid

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6-chloranyl-4-oxidanylidene-2H-1,3-benzoxazine-2-carboxylic acid Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-4-oxo-2H-1,3-benzoxazine-2-carboxylic acid CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-4-oxo-2H-1,3-benzoxazine-2-carboxylic acid IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-4-oxo-2H-1,3-benzoxazine-2-carboxylic acid Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-4-keto-2H-1,3-benzoxazine-2-carboxylic acid Formula: C17H8ClF6NO4 MolecularWeight: 439.693139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=O)N(C(O2)C(=O)O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=O)N(C(O2)C(=O)O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H8ClF6NO4/c18-9-1-2-12-11(6-9)13(26)25(14(29-12)15(27)28)10-4-7(16(19,20)21)3-8(5-10)17(22,23)24/h1-6,14H,(H,27,28)