4-cyanopentanoic acid; (2E,4E)-hepta-2,4,6-trienenitrile

Systemtic Name: 4-cyanopentanoic acid; (2E,4E)-hepta-2,4,6-trienenitrile Openeye Name: 4-cyanopentanoic acid; (2E,4E)-hepta-2,4,6-trienenitrile CAS Name: 4-cyanopentanoic acid; (2E,4E)-hepta-2,4,6-trienenitrile IUPAC Name: 4-cyanopentanoic acid; (2E,4E)-hepta-2,4,6-trienenitrile Traditional Name: 4-cyanovaleric acid; (2E,4E)-hepta-2,4,6-trienenitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C#N.C=CC=CC=CC#N

Isomeric SMILES

CC(CCC(=O)O)C#N.C=C/C=C/C=C/C#N

InChI

InChI=1S/C7H7N.C6H9NO2/c1-2-3-4-5-6-7-8;1-5(4-7)2-3-6(8)9/h2-6H,1H2;5H,2-3H2,1H3,(H,8,9)/b4-3+,6-5+;