pent-3-yn-2-yl 3,5-dinitrobenzoate

Systemtic Name: pent-3-yn-2-yl 3,5-dinitrobenzoate Openeye Name: 1-methylbut-2-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid pent-3-yn-2-yl ester IUPAC Name: pent-3-yn-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-methylbut-2-ynyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c1-3-4-8(2)20-12(15)9-5-10(13(16)17)7-11(6-9)14(18)19/h5-8H,1-2H3