(E)-2-cyano-5-oxidanylidene-hex-3-enoic acid

Systemtic Name: (E)-2-cyano-5-oxidanylidene-hex-3-enoic acid Openeye Name: (E)-2-cyano-5-oxo-hex-3-enoic acid CAS Name: (E)-2-cyano-5-oxo-3-hexenoic acid IUPAC Name: (E)-2-cyano-5-oxohex-3-enoic acid Traditional Name: (E)-2-cyano-5-keto-hex-3-enoic acid Formula: C7H7NO3 MolecularWeight: 153.13538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO3/c1-5(9)2-3-6(4-8)7(10)11/h2-3,6H,1H3,(H,10,11)/b3-2+