ethyl 2-(2-bromanyl-4,6-dimethyl-3-nitro-phenoxy)propanoate

Systemtic Name: ethyl 2-(2-bromanyl-4,6-dimethyl-3-nitro-phenoxy)propanoate Openeye Name: ethyl 2-(2-bromo-4,6-dimethyl-3-nitro-phenoxy)propanoate CAS Name: 2-(2-bromo-4,6-dimethyl-3-nitrophenoxy)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-bromo-4,6-dimethyl-3-nitrophenoxy)propanoate Traditional Name: 2-(2-bromo-4,6-dimethyl-3-nitro-phenoxy)propionic acid ethyl ester Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=C(C=C(C(=C1Br)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C(C)OC1=C(C=C(C(=C1Br)[N+](=O)[O-])C)C

InChI

InChI=1S/C13H16BrNO5/c1-5-19-13(16)9(4)20-12-8(3)6-7(2)11(10(12)14)15(17)18/h6,9H,5H2,1-4H3