diethyl 2-ethoxypropanedioate; 4-(trifluoromethyl)benzenecarboximidamide; hydrochloride

Systemtic Name: diethyl 2-ethoxypropanedioate; 4-(trifluoromethyl)benzenecarboximidamide; hydrochloride Openeye Name: diethyl 2-ethoxypropanedioate; 4-(trifluoromethyl)benzamidine; hydrochloride CAS Name: 2-ethoxypropanedioic acid diethyl ester; 4-(trifluoromethyl)benzenecarboximidamide; hydrochloride IUPAC Name: diethyl 2-ethoxypropanedioate; 4-(trifluoromethyl)benzenecarboximidamide; hydrochloride Traditional Name: 2-ethoxymalonic acid diethyl ester; 4-(trifluoromethyl)benzamidine; hydrochloride Formula: C17H24ClF3N2O5 MolecularWeight: 428.83107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)OCC)C(=O)OCC.C1=CC(=CC=C1C(=N)N)C(F)(F)F.Cl

Isomeric SMILES

CCOC(C(=O)OCC)C(=O)OCC.C1=CC(=CC=C1C(=N)N)C(F)(F)F.Cl

InChI

InChI=1S/C9H16O5.C8H7F3N2.ClH/c1-4-12-7(8(10)13-5-2)9(11)14-6-3;9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h7H,4-6H2,1-3H3;1-4H,(H3,12,13);1H