(phenylmethyl) 3-bromanyl-4-methyl-2,6-dinitro-5-phenylmethoxy-benzoate

Systemtic Name: (phenylmethyl) 3-bromanyl-4-methyl-2,6-dinitro-5-phenylmethoxy-benzoate Openeye Name: benzyl 3-benzyloxy-5-bromo-4-methyl-2,6-dinitro-benzoate CAS Name: 3-bromo-4-methyl-2,6-dinitro-5-phenylmethoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-bromo-4-methyl-2,6-dinitro-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-bromo-4-methyl-2,6-dinitro-benzoic acid benzyl ester Formula: C22H17BrN2O7 MolecularWeight: 501.28358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H17BrN2O7/c1-14-18(23)19(24(27)28)17(22(26)32-13-16-10-6-3-7-11-16)20(25(29)30)21(14)31-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3