5-(4-methylpentoxy)-2-nitro-benzoate

Systemtic Name: 5-(4-methylpentoxy)-2-nitro-benzoate Openeye Name: 5-isohexyloxy-2-nitro-benzoate CAS Name: 5-(4-methylpentoxy)-2-nitrobenzoate IUPAC Name: 5-(4-methylpentoxy)-2-nitrobenzoate Traditional Name: 5-isohexyloxy-2-nitro-benzoate Formula: C13H16NO5- MolecularWeight: 266.26984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-9(2)4-3-7-19-10-5-6-12(14(17)18)11(8-10)13(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)/p-1