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

Systemtic Name: methyl 4,4,5,5-tetracyano-3-phenyl-pentanoate Openeye Name: methyl 4,4,5,5-tetracyano-3-phenyl-pentanoate CAS Name: 4,4,5,5-tetracyano-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 4,4,5,5-tetracyano-3-phenylpentanoate Traditional Name: 4,4,5,5-tetracyano-3-phenyl-valeric acid methyl ester Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O2/c1-22-15(21)7-14(12-5-3-2-4-6-12)16(10-19,11-20)13(8-17)9-18/h2-6,13-14H,7H2,1H3