N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C21H14BrFN6O3 MolecularWeight: 497.276663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H14BrFN6O3/c22-13-8-9-17(16(23)10-13)26-19-18(29(31)32)20(25-11-24-19)27-28-21(30)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,28,30)(H2,24,25,26,27)