ethyl 6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-oxo-4H-1,4-benzoxazine-2-carboxylate CAS Name: 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxylate Traditional Name: 6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-keto-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C17H12ClF3N2O4 MolecularWeight: 400.73639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(O1)C=CC(=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1C(=O)NC2=C(O1)C=CC(=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3N2O4/c1-2-26-16(25)14-15(24)23-11-5-8(3-4-12(11)27-14)13-10(18)6-9(7-22-13)17(19,20)21/h3-7,14H,2H2,1H3,(H,23,24)