(2E)-2-[(1H-benzimidazol-2-ylamino)-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[(1H-benzimidazol-2-ylamino)-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[(1H-benzimidazol-2-ylamino)-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[(1H-benzimidazol-2-ylamino)-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[(1H-benzimidazol-2-ylamino)-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-(1H-benzimidazol-2-ylamino)-3-hydroxy-acrylonitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=NC2=CC=CC=C2N1)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=NC2=CC=CC=C2N1)/O)/C#N

InChI

InChI=1S/C12H10N4O2/c1-7(17)8(6-13)11(18)16-12-14-9-4-2-3-5-10(9)15-12/h2-5,18H,1H3,(H2,14,15,16)/b11-8+