N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-isopropoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-propan-2-yloxy-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-isopropoxy-5-nitro-pyrimidin-4-yl)amine Formula: C13H12ClFN4O3 MolecularWeight: 326.710783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H12ClFN4O3/c1-7(2)22-13-11(19(20)21)12(16-6-17-13)18-8-3-4-10(15)9(14)5-8/h3-7H,1-2H3,(H,16,17,18)