(3-bromanyl-4-methoxy-phenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid (3-bromo-4-methoxy-benzyl) ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3O2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C18H16BrNO5/c1-23-14-7-6-11(8-12(14)19)10-24-17(21)9-16-18(22)20-13-4-2-3-5-15(13)25-16/h2-8,16H,9-10H2,1H3,(H,20,22)/t16-/m0/s1