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

Systemtic Name: 4,6-bis(azanyl)-1-(4-nitrophenyl)-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 4,6-diamino-1-(4-nitrophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 4,6-diamino-1-(4-nitrophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile IUPAC Name: 4,6-diamino-1-(4-nitrophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 4,6-diamino-2-keto-1-(4-nitrophenyl)-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C14H11N6O3+ MolecularWeight: 311.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O3/c15-6-10-12(16)9-5-11(21)19(14(9)18-13(10)17)7-1-3-8(4-2-7)20(22)23/h1-4H,5H2,(H4,16,17,18)/p+1