(4-nitrophenyl)methyl 6-bromanylhexanoate

Systemtic Name: (4-nitrophenyl)methyl 6-bromanylhexanoate Openeye Name: (4-nitrophenyl)methyl 6-bromohexanoate CAS Name: 6-bromohexanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-bromohexanoate Traditional Name: 6-bromohexanoic acid (4-nitrobenzyl) ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCCCCBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCCCCBr)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c14-9-3-1-2-4-13(16)19-10-11-5-7-12(8-6-11)15(17)18/h5-8H,1-4,9-10H2