2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-(furan-3-yl)propanenitrile

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-(furan-3-yl)propanenitrile Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-furyl)propanenitrile CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-furanyl)propanenitrile IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(furan-3-yl)propanenitrile Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-3-(3-furyl)propionitrile Formula: C11H9N5O4 MolecularWeight: 275.22026

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC=C1CC(C#N)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC=C1CC(C#N)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O4/c12-4-7(3-6-1-2-20-5-6)8-9(16(18)19)10(17)15-11(13)14-8/h1-2,5,7H,3H2,(H3,13,14,15,17)