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

Systemtic Name: methyl 4,4,5,5-tetracyano-3-methyl-3-phenyl-pentanoate Openeye Name: methyl 4,4,5,5-tetracyano-3-methyl-3-phenyl-pentanoate CAS Name: 4,4,5,5-tetracyano-3-methyl-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 4,4,5,5-tetracyano-3-methyl-3-phenylpentanoate Traditional Name: 4,4,5,5-tetracyano-3-methyl-3-phenyl-valeric acid methyl ester Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O2/c1-16(8-15(22)23-2,13-6-4-3-5-7-13)17(11-20,12-21)14(9-18)10-19/h3-7,14H,8H2,1-2H3