3-(3-bromophenyl)-4-cyano-4-phenyl-butanoate

Systemtic Name: 3-(3-bromophenyl)-4-cyano-4-phenyl-butanoate Openeye Name: 3-(3-bromophenyl)-4-cyano-4-phenyl-butanoate CAS Name: 3-(3-bromophenyl)-4-cyano-4-phenylbutanoate IUPAC Name: 3-(3-bromophenyl)-4-cyano-4-phenylbutanoate Traditional Name: 3-(3-bromophenyl)-4-cyano-4-phenyl-butyrate Formula: C17H13BrNO2- MolecularWeight: 343.19462

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO2/c18-14-8-4-7-13(9-14)15(10-17(20)21)16(11-19)12-5-2-1-3-6-12/h1-9,15-16H,10H2,(H,20,21)/p-1