(3,5-dinitro-2-oxidanyl-phenyl) 1-methylcyclohexane-1-carboxylate

Systemtic Name: (3,5-dinitro-2-oxidanyl-phenyl) 1-methylcyclohexane-1-carboxylate Openeye Name: (2-hydroxy-3,5-dinitro-phenyl) 1-methylcyclohexanecarboxylate CAS Name: 1-methyl-1-cyclohexanecarboxylic acid (2-hydroxy-3,5-dinitrophenyl) ester IUPAC Name: (2-hydroxy-3,5-dinitrophenyl) 1-methylcyclohexane-1-carboxylate Traditional Name: 1-methylcyclohexanecarboxylic acid (2-hydroxy-3,5-dinitro-phenyl) ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)OC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CCCCC1)C(=O)OC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O7/c1-14(5-3-2-4-6-14)13(18)23-11-8-9(15(19)20)7-10(12(11)17)16(21)22/h7-8,17H,2-6H2,1H3