dimethyl 5-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H16BrN5O7 MolecularWeight: 554.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H16BrN5O7/c1-34-22(30)12-8-13(23(31)35-2)10-14(9-12)28-20-19(29(32)33)21(27-11-26-20)36-17-6-5-16(24)15-4-3-7-25-18(15)17/h3-11H,1-2H3,(H,26,27,28)