methyl 5-[3-[4-(4-bromanyl-2-chloranyl-phenoxy)phenoxy]-1-cyano-2-oxidanylidene-propyl]-2-cyano-pyrimidine-4-carboxylate

Systemtic Name: methyl 5-[3-[4-(4-bromanyl-2-chloranyl-phenoxy)phenoxy]-1-cyano-2-oxidanylidene-propyl]-2-cyano-pyrimidine-4-carboxylate Openeye Name: methyl 5-[3-[4-(4-bromo-2-chloro-phenoxy)phenoxy]-1-cyano-2-oxo-propyl]-2-cyano-pyrimidine-4-carboxylate CAS Name: 5-[3-[4-(4-bromo-2-chlorophenoxy)phenoxy]-1-cyano-2-oxopropyl]-2-cyano-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(4-bromo-2-chlorophenoxy)phenoxy]-1-cyano-2-oxopropyl]-2-cyanopyrimidine-4-carboxylate Traditional Name: 5-[3-[4-(4-bromo-2-chloro-phenoxy)phenoxy]-1-cyano-2-keto-propyl]-2-cyano-pyrimidine-4-carboxylic acid methyl ester Formula: C23H14BrClN4O5 MolecularWeight: 541.73806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NC=C1C(C#N)C(=O)COC2=CC=C(C=C2)OC3=C(C=C(C=C3)Br)Cl)C#N

Isomeric SMILES

COC(=O)C1=NC(=NC=C1C(C#N)C(=O)COC2=CC=C(C=C2)OC3=C(C=C(C=C3)Br)Cl)C#N

InChI

InChI=1S/C23H14BrClN4O5/c1-32-23(31)22-17(11-28-21(10-27)29-22)16(9-26)19(30)12-33-14-3-5-15(6-4-14)34-20-7-2-13(24)8-18(20)25/h2-8,11,16H,12H2,1H3