1-(4-fluoranylphenoxy)but-3-yn-2-yl 3,5-dinitrobenzoate

Systemtic Name: 1-(4-fluoranylphenoxy)but-3-yn-2-yl 3,5-dinitrobenzoate Openeye Name: 1-[(4-fluorophenoxy)methyl]prop-2-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-(4-fluorophenoxy)but-3-yn-2-yl ester IUPAC Name: 1-(4-fluorophenoxy)but-3-yn-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-[(4-fluorophenoxy)methyl]prop-2-ynyl ester Formula: C17H11FN2O7 MolecularWeight: 374.276843

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(COC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C#CC(COC1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11FN2O7/c1-2-15(10-26-16-5-3-12(18)4-6-16)27-17(21)11-7-13(19(22)23)9-14(8-11)20(24)25/h1,3-9,15H,10H2