N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]nicotinohydrazide Formula: C16H11BrFN7O3 MolecularWeight: 448.206043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

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