3-methylpentan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 3-methylpentan-2-yl 3,5-dinitrobenzoate Openeye Name: 1,2-dimethylbutyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3-methylpentan-2-yl ester IUPAC Name: 3-methylpentan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1,2-dimethylbutyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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