pentan-3-yl 3,5-dinitrobenzoate

Systemtic Name: pentan-3-yl 3,5-dinitrobenzoate Openeye Name: 1-ethylpropyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-ethylpropyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-3-11(4-2)20-12(15)8-5-9(13(16)17)7-10(6-8)14(18)19/h5-7,11H,3-4H2,1-2H3