6-chloranyl-2-ethoxy-N-[2-[fluoranyl(nitro)methyl]-4,6-dinitro-phenyl]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-2-ethoxy-N-[2-[fluoranyl(nitro)methyl]-4,6-dinitro-phenyl]pyrimidin-4-amine Openeye Name: 6-chloro-2-ethoxy-N-[2-[fluoro(nitro)methyl]-4,6-dinitro-phenyl]pyrimidin-4-amine CAS Name: 6-chloro-2-ethoxy-N-[2-[fluoro(nitro)methyl]-4,6-dinitrophenyl]-4-pyrimidinamine IUPAC Name: 6-chloro-2-ethoxy-N-[2-[fluoro(nitro)methyl]-4,6-dinitrophenyl]pyrimidin-4-amine Traditional Name: (6-chloro-2-ethoxy-pyrimidin-4-yl)-[2-[fluoro(nitro)methyl]-4,6-dinitro-phenyl]amine Formula: C13H10ClFN6O7 MolecularWeight: 416.705903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2C([N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2C([N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10ClFN6O7/c1-2-28-13-16-9(14)5-10(18-13)17-11-7(12(15)21(26)27)3-6(19(22)23)4-8(11)20(24)25/h3-5,12H,2H2,1H3,(H,16,17,18)