hex-4-yn-3-yl 4-nitrobenzoate

Systemtic Name: hex-4-yn-3-yl 4-nitrobenzoate Openeye Name: 1-ethylbut-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-ethylbut-2-ynyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-3-5-12(4-2)18-13(15)10-6-8-11(9-7-10)14(16)17/h6-9,12H,4H2,1-2H3