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

Systemtic Name: 1-[3-[[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H13BrN4O4 MolecularWeight: 429.22422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O4/c1-11(24)12-3-2-4-14(9-12)22-17-16(23(25)26)18(21-10-20-17)27-15-7-5-13(19)6-8-15/h2-10H,1H3,(H,20,21,22)