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

Systemtic Name: N'-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide CAS Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide Traditional Name: N'-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide Formula: C17H11BrClFN6O3 MolecularWeight: 481.663043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)Cl

InChI

InChI=1S/C17H11BrClFN6O3/c18-10-3-6-13(12(20)7-10)23-15-14(26(28)29)16(22-8-21-15)24-25-17(27)9-1-4-11(19)5-2-9/h1-8H,(H,25,27)(H2,21,22,23,24)