methyl 2-cyano-3-(2-methylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-cyano-3-(2-methylphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 2-cyano-3-(o-tolyl)-3-oxo-propanoate CAS Name: 2-cyano-3-(2-methylphenyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(2-methylphenyl)-3-oxopropanoate Traditional Name: 2-cyano-3-keto-3-(o-tolyl)propionic acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)C(C#N)C(=O)OC

InChI

InChI=1S/C12H11NO3/c1-8-5-3-4-6-9(8)11(14)10(7-13)12(15)16-2/h3-6,10H,1-2H3