(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-[(2-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(2-fluorobenzoyl)acrylonitrile Formula: C20H17ClFNO3 MolecularWeight: 373.805283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)C2=CC=CC=C2F)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)OC

InChI

InChI=1S/C20H17ClFNO3/c1-12(2)26-20-16(21)9-13(10-18(20)25-3)8-14(11-23)19(24)15-6-4-5-7-17(15)22/h4-10,12H,1-3H3/b14-8+