2,4-dimethyl-5-(4-nitrophenyl)-3,5-bis(oxidanyl)pentanal

Systemtic Name: 2,4-dimethyl-5-(4-nitrophenyl)-3,5-bis(oxidanyl)pentanal Openeye Name: 3,5-dihydroxy-2,4-dimethyl-5-(4-nitrophenyl)pentanal CAS Name: 3,5-dihydroxy-2,4-dimethyl-5-(4-nitrophenyl)pentanal IUPAC Name: 3,5-dihydroxy-2,4-dimethyl-5-(4-nitrophenyl)pentanal Traditional Name: 3,5-dihydroxy-2,4-dimethyl-5-(4-nitrophenyl)valeraldehyde Formula: C13H17NO5 MolecularWeight: 267.27778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-8(7-15)12(16)9(2)13(17)10-3-5-11(6-4-10)14(18)19/h3-9,12-13,16-17H,1-2H3