4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-nitro-benzenecarbonitrile

Systemtic Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-nitro-benzenecarbonitrile Openeye Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-nitro-benzonitrile CAS Name: 4-[(2-methoxy-5-nitro-4-pyrimidinyl)oxy]-2-nitrobenzonitrile IUPAC Name: 4-(2-methoxy-5-nitropyrimidin-4-yl)oxy-2-nitrobenzonitrile Traditional Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-nitro-benzonitrile Formula: C12H7N5O6 MolecularWeight: 317.21388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=N1)OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C(=N1)OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O6/c1-22-12-14-6-10(17(20)21)11(15-12)23-8-3-2-7(5-13)9(4-8)16(18)19/h2-4,6H,1H3