1-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]azepane Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN4O3/c17-12-5-7-13(8-6-12)24-16-14(21(22)23)15(18-11-19-16)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2