butyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: butyl 5-nitro-2-oxidanyl-benzoate Openeye Name: butyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid butyl ester IUPAC Name: butyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid butyl ester Formula: C11H13NO5 MolecularWeight: 239.22462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-2-3-6-17-11(14)9-7-8(12(15)16)4-5-10(9)13/h4-5,7,13H,2-3,6H2,1H3