methyl 4-[(3S)-2,2-dicyano-3-(phenylcarbonyl)cyclopropyl]benzoate

Systemtic Name: methyl 4-[(3S)-2,2-dicyano-3-(phenylcarbonyl)cyclopropyl]benzoate Openeye Name: methyl 4-[(3S)-3-benzoyl-2,2-dicyano-cyclopropyl]benzoate CAS Name: 4-[(3S)-3-benzoyl-2,2-dicyanocyclopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-benzoyl-2,2-dicyanocyclopropyl]benzoate Traditional Name: 4-[(3S)-3-benzoyl-2,2-dicyano-cyclopropyl]benzoic acid methyl ester Formula: C20H14N2O3 MolecularWeight: 330.33676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C2(C#N)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2[C@@H](C2(C#N)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H14N2O3/c1-25-19(24)15-9-7-13(8-10-15)16-17(20(16,11-21)12-22)18(23)14-5-3-2-4-6-14/h2-10,16-17H,1H3/t16?,17-/m1/s1