4-[2-[[(3E)-3-hydroxyimino-2-oxidanylidene-pyrrolo[2,3-b]pyridin-1-yl]methyl]benzimidazol-1-yl]butanenitrile

Systemtic Name: 4-[2-[[(3E)-3-hydroxyimino-2-oxidanylidene-pyrrolo[2,3-b]pyridin-1-yl]methyl]benzimidazol-1-yl]butanenitrile Openeye Name: 4-[2-[[(3E)-3-hydroxyimino-2-oxo-pyrrolo[2,3-b]pyridin-1-yl]methyl]benzimidazol-1-yl]butanenitrile CAS Name: 4-[2-[[(3E)-3-hydroxyimino-2-oxo-1-pyrrolo[2,3-b]pyridinyl]methyl]-1-benzimidazolyl]butanenitrile IUPAC Name: 4-[2-[[(3E)-3-hydroxyimino-2-oxopyrrolo[2,3-b]pyridin-1-yl]methyl]benzimidazol-1-yl]butanenitrile Traditional Name: 4-[2-[[(3E)-3-hydroximino-2-keto-pyrrolo[2,3-b]pyridin-1-yl]methyl]benzimidazol-1-yl]butyronitrile Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCC#N)CN3C4=C(C=CC=N4)C(=NO)C3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCC#N)CN3C4=C(C=CC=N4)/C(=N\O)/C3=O

InChI

InChI=1S/C19H16N6O2/c20-9-3-4-11-24-15-8-2-1-7-14(15)22-16(24)12-25-18-13(6-5-10-21-18)17(23-27)19(25)26/h1-2,5-8,10,27H,3-4,11-12H2/b23-17+