2,2,2-tris(chloranyl)ethyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-m-phenetyl-hexahydropyrimidine-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(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(Cl)(Cl)Cl

InChI

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