4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyano-butanoate

Systemtic Name: 4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyano-butanoate Openeye Name: 4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyano-butanoate CAS Name: 4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyanobutanoate IUPAC Name: 4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyanobutanoate Traditional Name: 4-(3-chlorophenyl)-3-(4-chlorophenyl)-4-cyano-butyrate Formula: C17H12Cl2NO2- MolecularWeight: 333.18868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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