4,6-bis(azanyl)-1-[2,4-bis(fluoranyl)phenyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-1-[2,4-bis(fluoranyl)phenyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 4,6-diamino-1-(2,4-difluorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 4,6-diamino-1-(2,4-difluorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile IUPAC Name: 4,6-diamino-1-(2,4-difluorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 4,6-diamino-1-(2,4-difluorophenyl)-2-keto-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C14H10F2N5O+ MolecularWeight: 302.258906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C([NH+]=C(C(=C2N)C#N)N)N(C1=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1C2=C([NH+]=C(C(=C2N)C#N)N)N(C1=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C14H9F2N5O/c15-6-1-2-10(9(16)3-6)21-11(22)4-7-12(18)8(5-17)13(19)20-14(7)21/h1-3H,4H2,(H4,18,19,20)/p+1