(3-methyl-2,4-dinitro-phenyl) 3,3-dimethylbutanoate

Systemtic Name: (3-methyl-2,4-dinitro-phenyl) 3,3-dimethylbutanoate Openeye Name: (3-methyl-2,4-dinitro-phenyl) 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid (3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (3-methyl-2,4-dinitrophenyl) 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (3-methyl-2,4-dinitro-phenyl) ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1[N+](=O)[O-])OC(=O)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1[N+](=O)[O-])OC(=O)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-8-9(14(17)18)5-6-10(12(8)15(19)20)21-11(16)7-13(2,3)4/h5-6H,7H2,1-4H3