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

Systemtic Name: 5-bromanyl-8-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C21H15BrN4O4 MolecularWeight: 467.2722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C21H15BrN4O4/c1-12-5-6-14(10-13(12)2)29-20-19(26(27)28)21(25-11-24-20)30-17-8-7-16(22)15-4-3-9-23-18(15)17/h3-11H,1-2H3