3-[3,5-bis(chloranyl)phenyl]-4-cyano-4-phenyl-butanoate

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]-4-cyano-4-phenyl-butanoate Openeye Name: 4-cyano-3-(3,5-dichlorophenyl)-4-phenyl-butanoate CAS Name: 4-cyano-3-(3,5-dichlorophenyl)-4-phenylbutanoate IUPAC Name: 4-cyano-3-(3,5-dichlorophenyl)-4-phenylbutanoate Traditional Name: 4-cyano-3-(3,5-dichlorophenyl)-4-phenyl-butyrate Formula: C17H12Cl2NO2- MolecularWeight: 333.18868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2NO2/c18-13-6-12(7-14(19)8-13)15(9-17(21)22)16(10-20)11-4-2-1-3-5-11/h1-8,15-16H,9H2,(H,21,22)/p-1