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

Systemtic Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]azepane Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H22N4O3/c1-2-14-7-9-15(10-8-14)25-18-16(22(23)24)17(19-13-20-18)21-11-5-3-4-6-12-21/h7-10,13H,2-6,11-12H2,1H3