(2,4-dinitrophenyl) 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: (2,4-dinitrophenyl) 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: (2,4-dinitrophenyl) 3-(3,5-dibromo-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 3-(3,5-dibromo-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid (2,4-dinitrophenyl) ester Formula: C15H10Br2N2O7 MolecularWeight: 490.0571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCC2=CC(=C(C(=C2)Br)O)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCC2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C15H10Br2N2O7/c16-10-5-8(6-11(17)15(10)21)1-4-14(20)26-13-3-2-9(18(22)23)7-12(13)19(24)25/h2-3,5-7,21H,1,4H2