methyl 2-(2,4,5-tricyanophenyl)butanoate

Systemtic Name: methyl 2-(2,4,5-tricyanophenyl)butanoate Openeye Name: methyl 2-(2,4,5-tricyanophenyl)butanoate CAS Name: 2-(2,4,5-tricyanophenyl)butanoic acid methyl ester IUPAC Name: methyl 2-(2,4,5-tricyanophenyl)butanoate Traditional Name: 2-(2,4,5-tricyanophenyl)butyric acid methyl ester Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C(=C1)C#N)C#N)C#N)C(=O)OC

Isomeric SMILES

CCC(C1=C(C=C(C(=C1)C#N)C#N)C#N)C(=O)OC

InChI

InChI=1S/C14H11N3O2/c1-3-12(14(18)19-2)13-5-10(7-16)9(6-15)4-11(13)8-17/h4-5,12H,3H2,1-2H3