4-cyano-7-methoxy-7-oxidanylidene-heptanoic acid

Systemtic Name: 4-cyano-7-methoxy-7-oxidanylidene-heptanoic acid Openeye Name: 4-cyano-7-methoxy-7-oxo-heptanoic acid CAS Name: 4-cyano-7-methoxy-7-oxoheptanoic acid IUPAC Name: 4-cyano-7-methoxy-7-oxoheptanoic acid Traditional Name: 4-cyano-7-keto-7-methoxy-enanthic acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)O)C#N

Isomeric SMILES

COC(=O)CCC(CCC(=O)O)C#N

InChI

InChI=1S/C9H13NO4/c1-14-9(13)5-3-7(6-10)2-4-8(11)12/h7H,2-5H2,1H3,(H,11,12)