5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanoic acid

Systemtic Name: 5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanoic acid Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)pentanoic acid CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)pentanoic acid IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)pentanoic acid Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)valeric acid Formula: C11H13NO6 MolecularWeight: 255.22402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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