5-[2-nitro-4,5-bis(oxidanyl)phenyl]pentanoic acid

Systemtic Name: 5-[2-nitro-4,5-bis(oxidanyl)phenyl]pentanoic acid Openeye Name: 5-(4,5-dihydroxy-2-nitro-phenyl)pentanoic acid CAS Name: 5-(4,5-dihydroxy-2-nitrophenyl)pentanoic acid IUPAC Name: 5-(4,5-dihydroxy-2-nitrophenyl)pentanoic acid Traditional Name: 5-(4,5-dihydroxy-2-nitro-phenyl)valeric acid Formula: C11H13NO6 MolecularWeight: 255.22402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1O)O)[N+](=O)[O-])CCCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1O)O)[N+](=O)[O-])CCCCC(=O)O

InChI

InChI=1S/C11H13NO6/c13-9-5-7(3-1-2-4-11(15)16)8(12(17)18)6-10(9)14/h5-6,13-14H,1-4H2,(H,15,16)