(4-bromanyl-2-fluoranyl-phenyl) 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl) 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid (4-bromo-2-fluoro-phenyl) ester Formula: C18H15BrFNO4 MolecularWeight: 408.218403

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrFNO4/c1-11-18(23)21(14-4-2-3-5-16(14)24-11)9-8-17(22)25-15-7-6-12(19)10-13(15)20/h2-7,10-11H,8-9H2,1H3