ethyl 7-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1C(=O)NC2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3NO5/c1-2-26-17(25)15-16(24)23-12-5-4-10(8-14(12)28-15)27-13-6-3-9(7-11(13)19)18(20,21)22/h3-8,15H,2H2,1H3,(H,23,24)