1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane Formula: C17H19ClN4O3 MolecularWeight: 362.81076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)Cl

InChI

InChI=1S/C17H19ClN4O3/c1-12-10-13(6-7-14(12)18)25-17-15(22(23)24)16(19-11-20-17)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9H2,1H3