4-cyano-7-methoxy-7-oxidanylidene-4-pyridin-3-yl-heptanoate

Systemtic Name: 4-cyano-7-methoxy-7-oxidanylidene-4-pyridin-3-yl-heptanoate Openeye Name: 4-cyano-7-methoxy-7-oxo-4-(3-pyridyl)heptanoate CAS Name: 4-cyano-7-methoxy-7-oxo-4-(3-pyridinyl)heptanoate IUPAC Name: 4-cyano-7-methoxy-7-oxo-4-pyridin-3-ylheptanoate Traditional Name: 4-cyano-7-keto-7-methoxy-4-(3-pyridyl)enanthate Formula: C14H15N2O4- MolecularWeight: 275.2799

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)[O-])(C#N)C1=CN=CC=C1

Isomeric SMILES

COC(=O)CCC(CCC(=O)[O-])(C#N)C1=CN=CC=C1

InChI

InChI=1S/C14H16N2O4/c1-20-13(19)5-7-14(10-15,6-4-12(17)18)11-3-2-8-16-9-11/h2-3,8-9H,4-7H2,1H3,(H,17,18)/p-1