(2-bromanyl-4-chloranyl-phenyl) 3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (2-bromanyl-4-chloranyl-phenyl) 3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2-bromo-4-chloro-phenyl) 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid (2-bromo-4-chlorophenyl) ester IUPAC Name: (2-bromo-4-chlorophenyl) 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid (2-bromo-4-chloro-phenyl) ester Formula: C18H15BrClNO4 MolecularWeight: 424.673

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C18H15BrClNO4/c1-11-18(23)21(14-4-2-3-5-16(14)24-11)9-8-17(22)25-15-7-6-12(20)10-13(15)19/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1