4-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C20H12BrN5O5 MolecularWeight: 482.24378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O)Br

InChI

InChI=1S/C20H12BrN5O5/c21-14-7-8-15(16-13(14)2-1-9-22-16)31-19-17(26(29)30)18(23-10-24-19)25-12-5-3-11(4-6-12)20(27)28/h1-10H,(H,27,28)(H,23,24,25)