2-[4-[2-carboxy-4-(2-methylpropyl)phenyl]-1-nitro-butan-2-yl]-2-ethyl-propanedioic acid

Systemtic Name: 2-[4-[2-carboxy-4-(2-methylpropyl)phenyl]-1-nitro-butan-2-yl]-2-ethyl-propanedioic acid Openeye Name: 2-[3-(2-carboxy-4-isobutyl-phenyl)-1-(nitromethyl)propyl]-2-ethyl-propanedioic acid CAS Name: 2-[4-[2-carboxy-4-(2-methylpropyl)phenyl]-1-nitrobutan-2-yl]-2-ethylpropanedioic acid IUPAC Name: 2-[4-[2-carboxy-4-(2-methylpropyl)phenyl]-1-nitrobutan-2-yl]-2-ethylpropanedioic acid Traditional Name: 2-[3-(2-carboxy-4-isobutyl-phenyl)-1-(nitromethyl)propyl]-2-ethyl-malonic acid Formula: C20H27NO8 MolecularWeight: 409.43028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO8/c1-4-20(18(24)25,19(26)27)15(11-21(28)29)8-7-14-6-5-13(9-12(2)3)10-16(14)17(22)23/h5-6,10,12,15H,4,7-9,11H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)