methyl 4-ethanoyl-4-(2-isocyanoethyl)-5-oxidanylidene-heptanoate

Systemtic Name: methyl 4-ethanoyl-4-(2-isocyanoethyl)-5-oxidanylidene-heptanoate Openeye Name: methyl 4-acetyl-4-(2-isocyanoethyl)-5-oxo-heptanoate CAS Name: 4-acetyl-4-(2-isocyanoethyl)-5-oxoheptanoic acid methyl ester IUPAC Name: methyl 4-acetyl-4-(2-isocyanoethyl)-5-oxoheptanoate Traditional Name: 4-acetyl-4-(2-isocyanoethyl)-5-keto-enanthic acid methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC(=O)OC)(CC[N+]#[C-])C(=O)C

Isomeric SMILES

CCC(=O)C(CCC(=O)OC)(CC[N+]#[C-])C(=O)C

InChI

InChI=1S/C13H19NO4/c1-5-11(16)13(10(2)15,8-9-14-3)7-6-12(17)18-4/h5-9H2,1-2,4H3