N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C16H11BrFN7O3 MolecularWeight: 448.206043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrFN7O3/c17-10-1-2-12(11(18)7-10)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)9-3-5-19-6-4-9/h1-8H,(H,24,26)(H2,20,21,22,23)