(2-bromanyl-4-propan-2-yl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-bromanyl-4-propan-2-yl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-bromo-4-isopropyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-bromo-4-propan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-propan-2-ylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-bromo-4-isopropyl-phenyl) ester Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN2O6/c1-9(2)10-3-4-15(14(17)7-10)25-16(20)11-5-12(18(21)22)8-13(6-11)19(23)24/h3-9H,1-2H3