5-(2,5-dimethyl-4-nitro-phenoxy)-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-(2,5-dimethyl-4-nitro-phenoxy)-2,2-dimethyl-pentanoic acid Openeye Name: 5-(2,5-dimethyl-4-nitro-phenoxy)-2,2-dimethyl-pentanoic acid CAS Name: 5-(2,5-dimethyl-4-nitrophenoxy)-2,2-dimethylpentanoic acid IUPAC Name: 5-(2,5-dimethyl-4-nitrophenoxy)-2,2-dimethylpentanoic acid Traditional Name: 5-(2,5-dimethyl-4-nitro-phenoxy)-2,2-dimethyl-valeric acid Formula: C15H21NO5 MolecularWeight: 295.33094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OCCCC(C)(C)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-10-9-13(11(2)8-12(10)16(19)20)21-7-5-6-15(3,4)14(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)