methyl (2S,3R)-2-cyano-3-(4-methylphenyl)oxirane-2-carboximidate

Systemtic Name: methyl (2S,3R)-2-cyano-3-(4-methylphenyl)oxirane-2-carboximidate Openeye Name: methyl (2S,3R)-2-cyano-3-(p-tolyl)oxirane-2-carboximidate CAS Name: (2S,3R)-2-cyano-3-(4-methylphenyl)-2-oxiranecarboximidic acid methyl ester IUPAC Name: methyl (2S,3R)-2-cyano-3-(4-methylphenyl)oxirane-2-carboximidate Traditional Name: (2S,3R)-2-cyano-3-(p-tolyl)oxirane-2-carboximidic acid methyl ester Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(O2)(C#N)C(=N)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@](O2)(C#N)C(=N)OC

InChI

InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)10-12(7-13,16-10)11(14)15-2/h3-6,10,14H,1-2H3/t10-,12+/m1/s1