5-ethoxycarbonyl-4-ethyl-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-2H-pyrrole-1-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-4-ethyl-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-2H-pyrrole-1-carboxylic acid Openeye Name: 5-ethoxycarbonyl-4-ethyl-5-(2,2,2-trichloroethoxycarbonylamino)-2H-pyrrole-1-carboxylic acid CAS Name: 5-ethoxycarbonyl-4-ethyl-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2H-pyrrole-1-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-4-ethyl-5-(2,2,2-trichloroethoxycarbonylamino)-2H-pyrrole-1-carboxylic acid Traditional Name: 2-carbethoxy-3-ethyl-2-(2,2,2-trichloroethoxycarbonylamino)-3-pyrroline-1-carboxylic acid Formula: C13H17Cl3N2O6 MolecularWeight: 403.64288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCN(C1(C(=O)OCC)NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

Isomeric SMILES

CCC1=CCN(C1(C(=O)OCC)NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C13H17Cl3N2O6/c1-3-8-5-6-18(11(21)22)13(8,9(19)23-4-2)17-10(20)24-7-12(14,15)16/h5H,3-4,6-7H2,1-2H3,(H,17,20)(H,21,22)