methyl (3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: methyl (3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-propanoate Openeye Name: methyl (3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxo-propanoate CAS Name: (3R)-3-cyano-3-(1-methyl-2-benzimidazolyl)-2-oxopropanoic acid methyl ester IUPAC Name: methyl (3R)-3-cyano-3-(1-methylbenzimidazol-2-yl)-2-oxopropanoate Traditional Name: (3R)-3-cyano-2-keto-3-(1-methylbenzimidazol-2-yl)propionic acid methyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@@H](C#N)C(=O)C(=O)OC

InChI

InChI=1S/C13H11N3O3/c1-16-10-6-4-3-5-9(10)15-12(16)8(7-14)11(17)13(18)19-2/h3-6,8H,1-2H3/t8-/m0/s1