(4-nitrophenyl) 4-[4-(2-bromanylethanoyl)phenyl]butanoate

Systemtic Name: (4-nitrophenyl) 4-[4-(2-bromanylethanoyl)phenyl]butanoate Openeye Name: (4-nitrophenyl) 4-[4-(2-bromoacetyl)phenyl]butanoate CAS Name: 4-[4-(2-bromo-1-oxoethyl)phenyl]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[4-(2-bromoacetyl)phenyl]butanoate Traditional Name: 4-[4-(2-bromoacetyl)phenyl]butyric acid (4-nitrophenyl) ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C18H16BrNO5/c19-12-17(21)14-6-4-13(5-7-14)2-1-3-18(22)25-16-10-8-15(9-11-16)20(23)24/h4-11H,1-3,12H2