4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid

Systemtic Name: 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid Openeye Name: 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid CAS Name: 4-(4-ethyl-2-methylphenyl)-4-nitrobutanoic acid IUPAC Name: 4-(4-ethyl-2-methylphenyl)-4-nitrobutanoic acid Traditional Name: 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(CCC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC(=C(C=C1)C(CCC(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H17NO4/c1-3-10-4-5-11(9(2)8-10)12(14(17)18)6-7-13(15)16/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)