ethyl 3-nitro-4-octoxy-benzoate

Systemtic Name: ethyl 3-nitro-4-octoxy-benzoate Openeye Name: ethyl 3-nitro-4-octoxy-benzoate CAS Name: 3-nitro-4-octoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-octoxybenzoate Traditional Name: 3-nitro-4-octoxy-benzoic acid ethyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H25NO5/c1-3-5-6-7-8-9-12-23-16-11-10-14(17(19)22-4-2)13-15(16)18(20)21/h10-11,13H,3-9,12H2,1-2H3