cyclobuten-1-yl ethanoate; (2E,4E)-hepta-2,4,6-trienenitrile

Systemtic Name: cyclobuten-1-yl ethanoate; (2E,4E)-hepta-2,4,6-trienenitrile Openeye Name: cyclobuten-1-yl acetate; (2E,4E)-hepta-2,4,6-trienenitrile CAS Name: acetic acid 1-cyclobutenyl ester; (2E,4E)-hepta-2,4,6-trienenitrile IUPAC Name: cyclobuten-1-yl acetate; (2E,4E)-hepta-2,4,6-trienenitrile Traditional Name: acetic acid cyclobuten-1-yl ester; (2E,4E)-hepta-2,4,6-trienenitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCC1.C=CC=CC=CC#N

Isomeric SMILES

CC(=O)OC1=CCC1.C=C/C=C/C=C/C#N

InChI

InChI=1S/C7H7N.C6H8O2/c1-2-3-4-5-6-7-8;1-5(7)8-6-3-2-4-6/h2-6H,1H2;3H,2,4H2,1H3/b4-3+,6-5+;