methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxidanylidene-propanoate Openeye Name: methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxo-propanoate CAS Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoate Traditional Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-2-keto-propionic acid methyl ester Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(C#N)C1=CC=C(C=C1)CC#N

Isomeric SMILES

COC(=O)C(=O)C(C#N)C1=CC=C(C=C1)CC#N

InChI

InChI=1S/C13H10N2O3/c1-18-13(17)12(16)11(8-15)10-4-2-9(3-5-10)6-7-14/h2-5,11H,6H2,1H3