ethyl 6-[(2-chloranyl-4-cyano-phenoxy)methyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(2-chloranyl-4-cyano-phenoxy)methyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-chloro-4-cyano-phenoxy)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2-chloro-4-cyanophenoxy)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-4-cyanophenoxy)methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2-chloro-4-cyano-phenoxy)methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H17Cl2N3O4 MolecularWeight: 446.28338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H17Cl2N3O4/c1-2-29-20(27)18-16(11-30-17-8-3-12(10-24)9-15(17)23)25-21(28)26-19(18)13-4-6-14(22)7-5-13/h3-9,19H,2,11H2,1H3,(H2,25,26,28)