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

Systemtic Name: 3-(2-azanyl-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzenecarbonitrile Openeye Name: 3-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzonitrile CAS Name: 3-[(2-amino-5-nitro-4-pyrimidinyl)oxy]-4-methylbenzonitrile IUPAC Name: 3-(2-amino-5-nitropyrimidin-4-yl)oxy-4-methylbenzonitrile Traditional Name: 3-(2-amino-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzonitrile Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC=C2[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H9N5O3/c1-7-2-3-8(5-13)4-10(7)20-11-9(17(18)19)6-15-12(14)16-11/h2-4,6H,1H3,(H2,14,15,16)