5-bromanyl-8-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C21H14BrClN4O4 MolecularWeight: 501.71726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])OC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])OC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C21H14BrClN4O4/c1-11-8-13(9-12(2)17(11)23)30-20-19(27(28)29)21(26-10-25-20)31-16-6-5-15(22)14-4-3-7-24-18(14)16/h3-10H,1-2H3