[2-acetyloxy-3-(2-nitro-4-oct-1-ynyl-phenyl)propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-(2-nitro-4-oct-1-ynyl-phenyl)propyl] ethanoate Openeye Name: [2-acetoxy-3-(2-nitro-4-oct-1-ynyl-phenyl)propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-(2-nitro-4-oct-1-ynylphenyl)propyl] ester IUPAC Name: [2-acetyloxy-3-(2-nitro-4-oct-1-ynylphenyl)propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-(2-nitro-4-oct-1-ynyl-phenyl)propyl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-4-5-6-7-8-9-10-18-11-12-19(21(13-18)22(25)26)14-20(28-17(3)24)15-27-16(2)23/h11-13,20H,4-8,14-15H2,1-3H3