methyl (1S,2S,3R)-2-(4-cyanophenyl)-1-ethanoyl-3-methanoyl-cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2S,3R)-2-(4-cyanophenyl)-1-ethanoyl-3-methanoyl-cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S,3R)-1-acetyl-2-(4-cyanophenyl)-3-formyl-cyclopropanecarboxylate CAS Name: (1S,2S,3R)-1-acetyl-2-(4-cyanophenyl)-3-formyl-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R)-1-acetyl-2-(4-cyanophenyl)-3-formylcyclopropane-1-carboxylate Traditional Name: (1S,2S,3R)-1-acetyl-2-(4-cyanophenyl)-3-formyl-cyclopropanecarboxylic acid methyl ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C1C2=CC=C(C=C2)C#N)C=O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c1-9(18)15(14(19)20-2)12(8-17)13(15)11-5-3-10(7-16)4-6-11/h3-6,8,12-13H,1-2H3/t12-,13-,15-/m1/s1