methyl (2S)-6-bromanyl-3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1,3-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-6-bromanyl-3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1,3-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-6-bromo-3-(3-chloro-4-fluoro-phenyl)-2-(2-methoxy-2-oxo-ethyl)-4-oxo-1,3-benzoxazine-2-carboxylate CAS Name: (2S)-6-bromo-3-(3-chloro-4-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4-oxo-1,3-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-6-bromo-3-(3-chloro-4-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4-oxo-1,3-benzoxazine-2-carboxylate Traditional Name: (2S)-6-bromo-3-(3-chloro-4-fluoro-phenyl)-4-keto-2-(2-keto-2-methoxy-ethyl)-1,3-benzoxazine-2-carboxylic acid methyl ester Formula: C19H14BrClFNO6 MolecularWeight: 486.672963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=CC(=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C[C@@]1(N(C(=O)C2=C(O1)C=CC(=C2)Br)C3=CC(=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C19H14BrClFNO6/c1-27-16(24)9-19(18(26)28-2)23(11-4-5-14(22)13(21)8-11)17(25)12-7-10(20)3-6-15(12)29-19/h3-8H,9H2,1-2H3/t19-/m0/s1