3-(2-nitro-6-oct-1-ynyl-phenyl)propyl ethanoate

Systemtic Name: 3-(2-nitro-6-oct-1-ynyl-phenyl)propyl ethanoate Openeye Name: 3-(2-nitro-6-oct-1-ynyl-phenyl)propyl acetate CAS Name: acetic acid 3-(2-nitro-6-oct-1-ynylphenyl)propyl ester IUPAC Name: 3-(2-nitro-6-oct-1-ynylphenyl)propyl acetate Traditional Name: acetic acid 3-(2-nitro-6-oct-1-ynyl-phenyl)propyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C(=CC=C1)[N+](=O)[O-])CCCOC(=O)C

Isomeric SMILES

CCCCCCC#CC1=C(C(=CC=C1)[N+](=O)[O-])CCCOC(=O)C

InChI

InChI=1S/C19H25NO4/c1-3-4-5-6-7-8-11-17-12-9-14-19(20(22)23)18(17)13-10-15-24-16(2)21/h9,12,14H,3-7,10,13,15H2,1-2H3