(phenylmethyl) 3-bromanyl-2,6-dinitro-5-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 3-bromanyl-2,6-dinitro-5-phenylmethoxy-benzoate Openeye Name: benzyl 3-benzyloxy-5-bromo-2,6-dinitro-benzoate CAS Name: 3-bromo-2,6-dinitro-5-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-bromo-2,6-dinitro-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-bromo-2,6-dinitro-benzoic acid benzyl ester Formula: C21H15BrN2O7 MolecularWeight: 487.257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C(=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C(=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15BrN2O7/c22-16-11-17(30-12-14-7-3-1-4-8-14)20(24(28)29)18(19(16)23(26)27)21(25)31-13-15-9-5-2-6-10-15/h1-11H,12-13H2