ethyl 4-bromanyl-2-nitro-5-oxidanylidene-3-propan-2-yl-heptanoate

Systemtic Name: ethyl 4-bromanyl-2-nitro-5-oxidanylidene-3-propan-2-yl-heptanoate Openeye Name: ethyl 4-bromo-3-isopropyl-2-nitro-5-oxo-heptanoate CAS Name: 4-bromo-2-nitro-5-oxo-3-propan-2-ylheptanoic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-nitro-5-oxo-3-propan-2-ylheptanoate Traditional Name: 4-bromo-3-isopropyl-5-keto-2-nitro-enanthic acid ethyl ester Formula: C12H20BrNO5 MolecularWeight: 338.1949

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C(C)C)C(C(=O)OCC)[N+](=O)[O-])Br

Isomeric SMILES

CCC(=O)C(C(C(C)C)C(C(=O)OCC)[N+](=O)[O-])Br

InChI

InChI=1S/C12H20BrNO5/c1-5-8(15)10(13)9(7(3)4)11(14(17)18)12(16)19-6-2/h7,9-11H,5-6H2,1-4H3