methyl (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methyl-cyclobutane-1-carboxylate

Systemtic Name: methyl (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methyl-cyclobutane-1-carboxylate Openeye Name: methyl (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methyl-cyclobutanecarboxylate CAS Name: (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methyl-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methylcyclobutane-1-carboxylate Traditional Name: (1S,3R,4R)-1,2,2-tricyano-3-ethoxy-4-methyl-cyclobutanecarboxylic acid methyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C1(C#N)C#N)(C#N)C(=O)OC)C

Isomeric SMILES

CCO[C@@H]1[C@@H]([C@](C1(C#N)C#N)(C#N)C(=O)OC)C

InChI

InChI=1S/C12H13N3O3/c1-4-18-9-8(2)12(7-15,10(16)17-3)11(9,5-13)6-14/h8-9H,4H2,1-3H3/t8-,9+,12+/m0/s1