(1-bromanyl-3-methyl-pent-1-yn-3-yl) 4-nitrobenzoate

Systemtic Name: (1-bromanyl-3-methyl-pent-1-yn-3-yl) 4-nitrobenzoate Openeye Name: (3-bromo-1-ethyl-1-methyl-prop-2-ynyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-bromo-3-methylpent-1-yn-3-yl) ester IUPAC Name: (1-bromo-3-methylpent-1-yn-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-bromo-1-ethyl-1-methyl-prop-2-ynyl) ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO4/c1-3-13(2,8-9-14)19-12(16)10-4-6-11(7-5-10)15(17)18/h4-7H,3H2,1-2H3