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

Systemtic Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-methyl-benzenecarbonitrile Openeye Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-methyl-benzonitrile CAS Name: 4-[(2-methoxy-5-nitro-4-pyrimidinyl)oxy]-2-methylbenzonitrile IUPAC Name: 4-(2-methoxy-5-nitropyrimidin-4-yl)oxy-2-methylbenzonitrile Traditional Name: 4-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-2-methyl-benzonitrile Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O4/c1-8-5-10(4-3-9(8)6-14)21-12-11(17(18)19)7-15-13(16-12)20-2/h3-5,7H,1-2H3