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

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H12BrFN6O3 MolecularWeight: 447.217983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN6O3/c18-11-6-7-13(12(19)8-11)22-15-14(25(27)28)16(21-9-20-15)23-24-17(26)10-4-2-1-3-5-10/h1-9H,(H,24,26)(H2,20,21,22,23)