(5-methyl-2-propan-2-yl-cyclohexyl) 2-bromanyl-3,6-dinitro-benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-bromanyl-3,6-dinitro-benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-bromo-3,6-dinitro-benzoate CAS Name: 2-bromo-3,6-dinitrobenzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-bromo-3,6-dinitrobenzoate Traditional Name: 2-bromo-3,6-dinitro-benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=C(C=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H21BrN2O6/c1-9(2)11-5-4-10(3)8-14(11)26-17(21)15-12(19(22)23)6-7-13(16(15)18)20(24)25/h6-7,9-11,14H,4-5,8H2,1-3H3