(4-bromanyl-2,6-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C)Br

InChI

InChI=1S/C16H13BrN2O6/c1-8-4-12(17)5-9(2)15(8)25-16(20)11-6-13(18(21)22)10(3)14(7-11)19(23)24/h4-7H,1-3H3