[(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] ethanoate

Systemtic Name: [(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] ethanoate Openeye Name: [(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] acetate CAS Name: acetic acid [(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] ester IUPAC Name: [(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] acetate Traditional Name: acetic acid [(2S,3R,7R)-7-cyano-2-methyl-2,3,6,7-tetrahydrooxepin-3-yl] ester Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=CCC(O1)C#N)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H](C=CC[C@@H](O1)C#N)OC(=O)C

InChI

InChI=1S/C10H13NO3/c1-7-10(14-8(2)12)5-3-4-9(6-11)13-7/h3,5,7,9-10H,4H2,1-2H3/t7-,9+,10+/m0/s1