(4-nitrophenyl)methyl 4-bromanyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-bromanyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 4-bromo-3-oxo-pentanoate CAS Name: 4-bromo-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-bromo-3-oxopentanoate Traditional Name: 4-bromo-3-keto-valeric acid (4-nitrobenzyl) ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CC(C(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrNO5/c1-8(13)11(15)6-12(16)19-7-9-2-4-10(5-3-9)14(17)18/h2-5,8H,6-7H2,1H3