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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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