(4-bromanyl-2,6-dimethyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C15H11BrN2O6 MolecularWeight: 395.16164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O6/c1-8-3-11(16)4-9(2)14(8)24-15(19)10-5-12(17(20)21)7-13(6-10)18(22)23/h3-7H,1-2H3