ethyl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-acetyl-3-(4-bromo-2-nitro-phenyl)butanoate CAS Name: 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(4-bromo-2-nitro-phenyl)butyric acid ethyl ester Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C14H16BrNO5/c1-4-21-14(18)13(9(3)17)8(2)11-6-5-10(15)7-12(11)16(19)20/h5-8,13H,4H2,1-3H3