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

Systemtic Name: 1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]azepane Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H21ClN4O3/c1-12-9-14(10-13(2)15(12)19)26-18-16(23(24)25)17(20-11-21-18)22-7-5-3-4-6-8-22/h9-11H,3-8H2,1-2H3