1-[3-azanyl-2-nitro-6-(1-pyridin-3-ylcarbonylcyclopropyl)phenyl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[3-azanyl-2-nitro-6-(1-pyridin-3-ylcarbonylcyclopropyl)phenyl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[3-amino-2-nitro-6-[1-(pyridine-3-carbonyl)cyclopropyl]phenyl]-2,2,2-trifluoro-ethanone CAS Name: 1-[3-amino-2-nitro-6-[1-[oxo(3-pyridinyl)methyl]cyclopropyl]phenyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[3-amino-2-nitro-6-[1-(pyridine-3-carbonyl)cyclopropyl]phenyl]-2,2,2-trifluoroethanone Traditional Name: 1-[3-amino-6-(1-nicotinoylcyclopropyl)-2-nitro-phenyl]-2,2,2-trifluoro-ethanone Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=C(C(=C(C=C2)N)[N+](=O)[O-])C(=O)C(F)(F)F)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CC1(C2=C(C(=C(C=C2)N)[N+](=O)[O-])C(=O)C(F)(F)F)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H12F3N3O4/c18-17(19,20)15(25)12-10(3-4-11(21)13(12)23(26)27)16(5-6-16)14(24)9-2-1-7-22-8-9/h1-4,7-8H,5-6,21H2