dimethyl 2-(2,2-dimethylpropyl)-4-(2,4,5-tricyanophenyl)pentanedioate

Systemtic Name: dimethyl 2-(2,2-dimethylpropyl)-4-(2,4,5-tricyanophenyl)pentanedioate Openeye Name: dimethyl 2-(2,2-dimethylpropyl)-4-(2,4,5-tricyanophenyl)pentanedioate CAS Name: 2-(2,2-dimethylpropyl)-4-(2,4,5-tricyanophenyl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2-dimethylpropyl)-4-(2,4,5-tricyanophenyl)pentanedioate Traditional Name: 2-neopentyl-4-(2,4,5-tricyanophenyl)glutaric acid dimethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)9-13(19(25)27-4)7-18(20(26)28-5)17-8-15(11-23)14(10-22)6-16(17)12-24/h6,8,13,18H,7,9H2,1-5H3