ethyl 2-nitro-4-octoxy-benzoate

Systemtic Name: ethyl 2-nitro-4-octoxy-benzoate Openeye Name: ethyl 2-nitro-4-octoxy-benzoate CAS Name: 2-nitro-4-octoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-nitro-4-octoxybenzoate Traditional Name: 2-nitro-4-octoxy-benzoic acid ethyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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