(2,4-dinitrophenyl) 3-phenylpropanoate

Systemtic Name: (2,4-dinitrophenyl) 3-phenylpropanoate Openeye Name: (2,4-dinitrophenyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (2,4-dinitrophenyl) ester Formula: C15H12N2O6 MolecularWeight: 316.26558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c18-15(9-6-11-4-2-1-3-5-11)23-14-8-7-12(16(19)20)10-13(14)17(21)22/h1-5,7-8,10H,6,9H2