(4-nitrophenyl) 3-[4-(2-bromanylethanoyl)phenyl]propanoate

Systemtic Name: (4-nitrophenyl) 3-[4-(2-bromanylethanoyl)phenyl]propanoate Openeye Name: (4-nitrophenyl) 3-[4-(2-bromoacetyl)phenyl]propanoate CAS Name: 3-[4-(2-bromo-1-oxoethyl)phenyl]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-[4-(2-bromoacetyl)phenyl]propanoate Traditional Name: 3-[4-(2-bromoacetyl)phenyl]propionic acid (4-nitrophenyl) ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C17H14BrNO5/c18-11-16(20)13-4-1-12(2-5-13)3-10-17(21)24-15-8-6-14(7-9-15)19(22)23/h1-2,4-9H,3,10-11H2