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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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