methyl (1S,3S)-2,2-dicyano-3-phenyl-cyclobutane-1-carboxylate

Systemtic Name: methyl (1S,3S)-2,2-dicyano-3-phenyl-cyclobutane-1-carboxylate Openeye Name: methyl (1S,3S)-2,2-dicyano-3-phenyl-cyclobutanecarboxylate CAS Name: (1S,3S)-2,2-dicyano-3-phenyl-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-2,2-dicyano-3-phenylcyclobutane-1-carboxylate Traditional Name: (1S,3S)-2,2-dicyano-3-phenyl-cyclobutanecarboxylic acid methyl ester Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C1(C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1C[C@H](C1(C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H12N2O2/c1-18-13(17)12-7-11(14(12,8-15)9-16)10-5-3-2-4-6-10/h2-6,11-12H,7H2,1H3/t11-,12+/m0/s1