8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline

Systemtic Name: 8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=C(C(=NC=N3)OC4=CC(=CC(=C4)C)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=C(C(=NC=N3)OC4=CC(=CC(=C4)C)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C22H18N4O4/c1-13-9-14(2)11-17(10-13)29-21-20(26(27)28)22(24-12-23-21)30-18-6-4-5-16-8-7-15(3)25-19(16)18/h4-12H,1-3H3