3-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzenecarbonitrile

Systemtic Name: 3-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzenecarbonitrile Openeye Name: 3-(2-amino-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzonitrile CAS Name: 3-[(2-amino-5-nitro-4-pyrimidinyl)oxy]-5-methoxybenzonitrile IUPAC Name: 3-(2-amino-5-nitropyrimidin-4-yl)oxy-5-methoxybenzonitrile Traditional Name: 3-(2-amino-5-nitro-pyrimidin-4-yl)oxy-5-methoxy-benzonitrile Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=NC(=NC=C2[N+](=O)[O-])N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=NC(=NC=C2[N+](=O)[O-])N)C#N

InChI

InChI=1S/C12H9N5O4/c1-20-8-2-7(5-13)3-9(4-8)21-11-10(17(18)19)6-15-12(14)16-11/h2-4,6H,1H3,(H2,14,15,16)