2-[cyano-bis(4-fluorophenyl)methyl]propanedioic acid

Systemtic Name: 2-[cyano-bis(4-fluorophenyl)methyl]propanedioic acid Openeye Name: 2-[cyano-bis(4-fluorophenyl)methyl]propanedioic acid CAS Name: 2-[cyano-bis(4-fluorophenyl)methyl]propanedioic acid IUPAC Name: 2-[cyano-bis(4-fluorophenyl)methyl]propanedioic acid Traditional Name: 2-[cyano-bis(4-fluorophenyl)methyl]malonic acid Formula: C17H11F2NO4 MolecularWeight: 331.270346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)F)C(C(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)F)C(C(=O)O)C(=O)O)F

InChI

InChI=1S/C17H11F2NO4/c18-12-5-1-10(2-6-12)17(9-20,14(15(21)22)16(23)24)11-3-7-13(19)8-4-11/h1-8,14H,(H,21,22)(H,23,24)