2-ethoxycarbonyl-3-(4-methylphenyl)-4-nitro-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-3-(4-methylphenyl)-4-nitro-butanoic acid Openeye Name: 2-ethoxycarbonyl-4-nitro-3-(p-tolyl)butanoic acid CAS Name: 2-ethoxycarbonyl-3-(4-methylphenyl)-4-nitrobutanoic acid IUPAC Name: 2-ethoxycarbonyl-3-(4-methylphenyl)-4-nitrobutanoic acid Traditional Name: 2-carbethoxy-4-nitro-3-(p-tolyl)butyric acid Formula: C14H17NO6 MolecularWeight: 295.28788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-3-21-14(18)12(13(16)17)11(8-15(19)20)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3,(H,16,17)