1-[3-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H14BrN5O4 MolecularWeight: 480.27096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN5O4/c1-12(28)13-4-2-5-14(10-13)26-20-19(27(29)30)21(25-11-24-20)31-17-8-7-16(22)15-6-3-9-23-18(15)17/h2-11H,1H3,(H,24,25,26)