2,2,2-tris(chloranyl)ethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trichloroethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-o-phenetyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester Formula: C16H17Cl3N2O4 MolecularWeight: 407.67618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C16H17Cl3N2O4/c1-3-24-11-7-5-4-6-10(11)13-12(9(2)20-15(23)21-13)14(22)25-8-16(17,18)19/h4-7,13H,3,8H2,1-2H3,(H2,20,21,23)