3-(3-chloranyl-4-fluoranyl-phenyl)-4-cyano-4-phenyl-butanoate

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-4-cyano-4-phenyl-butanoate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-4-cyano-4-phenyl-butanoate CAS Name: 3-(3-chloro-4-fluorophenyl)-4-cyano-4-phenylbutanoate IUPAC Name: 3-(3-chloro-4-fluorophenyl)-4-cyano-4-phenylbutanoate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-cyano-4-phenyl-butyrate Formula: C17H12ClFNO2- MolecularWeight: 316.734083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(CC(=O)[O-])C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(CC(=O)[O-])C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H13ClFNO2/c18-15-8-12(6-7-16(15)19)13(9-17(21)22)14(10-20)11-4-2-1-3-5-11/h1-8,13-14H,9H2,(H,21,22)/p-1