[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-2-3-4-9-16(22)23-11-15(21)12(10-18)17-19-13-7-5-6-8-14(13)20-17/h2-9,12H,11H2,1H3,(H,19,20)/b3-2+,9-4+