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

Systemtic Name: methyl 2-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C22H16BrN5O5 MolecularWeight: 510.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN5O5/c1-27(16-8-4-3-6-14(16)22(29)32-2)20-19(28(30)31)21(26-12-25-20)33-17-10-9-15(23)13-7-5-11-24-18(13)17/h3-12H,1-2H3