phenacyl 3-(2,4-dinitrophenoxy)benzoate

Systemtic Name: phenacyl 3-(2,4-dinitrophenoxy)benzoate Openeye Name: phenacyl 3-(2,4-dinitrophenoxy)benzoate CAS Name: 3-(2,4-dinitrophenoxy)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-(2,4-dinitrophenoxy)benzoate Traditional Name: 3-(2,4-dinitrophenoxy)benzoic acid phenacyl ester Formula: C21H14N2O8 MolecularWeight: 422.34446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O8/c24-19(14-5-2-1-3-6-14)13-30-21(25)15-7-4-8-17(11-15)31-20-10-9-16(22(26)27)12-18(20)23(28)29/h1-12H,13H2