2-[(4,6-dimethoxypyrimidin-2-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-5-nitrobenzonitrile IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-5-nitro-benzonitrile Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C13H11N5O4/c1-21-11-6-12(22-2)17-13(16-11)15-10-4-3-9(18(19)20)5-8(10)7-14/h3-6H,1-2H3,(H,15,16,17)