methyl 4,4,5,5-tetracyano-3-ethyl-3-phenyl-pentanoate

Systemtic Name: methyl 4,4,5,5-tetracyano-3-ethyl-3-phenyl-pentanoate Openeye Name: methyl 4,4,5,5-tetracyano-3-ethyl-3-phenyl-pentanoate CAS Name: 4,4,5,5-tetracyano-3-ethyl-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 4,4,5,5-tetracyano-3-ethyl-3-phenylpentanoate Traditional Name: 4,4,5,5-tetracyano-3-ethyl-3-phenyl-valeric acid methyl ester Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2/c1-3-17(9-16(23)24-2,14-7-5-4-6-8-14)18(12-21,13-22)15(10-19)11-20/h4-8,15H,3,9H2,1-2H3