dimethyl (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)butanedioate

Systemtic Name: dimethyl (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)butanedioate Openeye Name: dimethyl (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)butanedioate CAS Name: (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)butanedioate Traditional Name: (2S,3R)-2-methyl-3-(2,4,5-tricyanophenyl)succinic acid dimethyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@H](C1=C(C=C(C(=C1)C#N)C#N)C#N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H13N3O4/c1-9(15(20)22-2)14(16(21)23-3)13-5-11(7-18)10(6-17)4-12(13)8-19/h4-5,9,14H,1-3H3/t9-,14+/m0/s1