methyl 3-(4-chlorophenyl)-4,4,5,5-tetracyano-pentanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-4,4,5,5-tetracyano-pentanoate Openeye Name: methyl 3-(4-chlorophenyl)-4,4,5,5-tetracyano-pentanoate CAS Name: 3-(4-chlorophenyl)-4,4,5,5-tetracyanopentanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-4,4,5,5-tetracyanopentanoate Traditional Name: 3-(4-chlorophenyl)-4,4,5,5-tetracyano-valeric acid methyl ester Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O2/c1-23-15(22)6-14(11-2-4-13(17)5-3-11)16(9-20,10-21)12(7-18)8-19/h2-5,12,14H,6H2,1H3