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

Systemtic Name: ethyl 6-[(2-chloranyl-4-cyano-phenoxy)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-chloro-4-cyano-phenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2-chloro-4-cyanophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-4-cyanophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2-chloro-4-cyano-phenoxy)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4/c1-2-28-20(26)18-16(12-29-17-9-8-13(11-23)10-15(17)22)24-21(27)25-19(18)14-6-4-3-5-7-14/h3-10,19H,2,12H2,1H3,(H2,24,25,27)