ethyl 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(4-bromanyl-2-nitro-phenyl)-2-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-bromo-2-nitro-phenyl)-2-oxo-butanoate CAS Name: 4-(4-bromo-2-nitrophenyl)-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-nitrophenyl)-2-oxobutanoate Traditional Name: 4-(4-bromo-2-nitro-phenyl)-2-keto-butyric acid ethyl ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CCC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)CCC1=C(C=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrNO5/c1-2-19-12(16)11(15)6-4-8-3-5-9(13)7-10(8)14(17)18/h3,5,7H,2,4,6H2,1H3