phenethyl 4-[2,3-bis(chloranyl)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: phenethyl 4-[2,3-bis(chloranyl)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 4-(2,3-dichlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2,3-dichlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2,3-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(2,3-dichlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid phenethyl ester Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H18Cl2N2O3/c1-12-16(19(25)27-11-10-13-6-3-2-4-7-13)18(24-20(26)23-12)14-8-5-9-15(21)17(14)22/h2-9,16,18H,1,10-11H2,(H2,23,24,26)