ethyl 3-[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl 3-[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3-[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxyphenyl]-2-cyano-prop-2-enoate CAS Name: 3-[4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: 3-[4-(2-chloro-5-fluoro-pyrimidin-4-yl)oxyphenyl]-2-cyano-acrylic acid ethyl ester Formula: C16H11ClFN3O3 MolecularWeight: 347.728243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)OC2=NC(=NC=C2F)Cl)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)OC2=NC(=NC=C2F)Cl)C#N

InChI

InChI=1S/C16H11ClFN3O3/c1-2-23-15(22)11(8-19)7-10-3-5-12(6-4-10)24-14-13(18)9-20-16(17)21-14/h3-7,9H,2H2,1H3