methyl 2-(cyanomethyl)-6-methyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: methyl 2-(cyanomethyl)-6-methyl-3-oxidanylidene-hept-6-enoate Openeye Name: methyl 2-(cyanomethyl)-6-methyl-3-oxo-hept-6-enoate CAS Name: 2-(cyanomethyl)-6-methyl-3-oxo-6-heptenoic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-6-methyl-3-oxohept-6-enoate Traditional Name: 2-(cyanomethyl)-3-keto-6-methyl-hept-6-enoic acid methyl ester Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3/c1-8(2)4-5-10(13)9(6-7-12)11(14)15-3/h9H,1,4-6H2,2-3H3