[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-methoxyethanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-methoxyethanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

Isomeric SMILES

COCC(=O)OCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C14H13N3O4/c1-20-8-13(19)21-7-12(18)9(6-15)14-16-10-4-2-3-5-11(10)17-14/h2-5,9H,7-8H2,1H3,(H,16,17)