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

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-phenyl-propanenitrile Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-phenyl-propanenitrile CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-phenylpropanenitrile IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-phenylpropanenitrile Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-3-phenyl-propionitrile Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3/c14-7-9(6-8-4-2-1-3-5-8)10-11(18(20)21)12(19)17-13(15)16-10/h1-5,9H,6H2,(H3,15,16,17,19)