2-methylpropyl 3,5-dinitrobenzoate

Systemtic Name: 2-methylpropyl 3,5-dinitrobenzoate Openeye Name: isobutyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid isobutyl ester Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-7(2)6-19-11(14)8-3-9(12(15)16)5-10(4-8)13(17)18/h3-5,7H,6H2,1-2H3