methyl 2-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H14BrN5O5 MolecularWeight: 496.27036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN5O5/c1-31-21(28)13-5-2-3-7-15(13)26-19-18(27(29)30)20(25-11-24-19)32-16-9-8-14(22)12-6-4-10-23-17(12)16/h2-11H,1H3,(H,24,25,26)