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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12ClFN4O4 MolecularWeight: 390.752983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H12ClFN4O4/c1-26-13-4-2-3-5-14(13)27-17-15(23(24)25)16(20-9-21-17)22-10-6-7-12(19)11(18)8-10/h2-9H,1H3,(H,20,21,22)