N'-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromanyl-benzohydrazide

Systemtic Name: N'-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromanyl-benzohydrazide Openeye Name: N'-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromo-benzohydrazide CAS Name: N'-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-4-bromobenzohydrazide IUPAC Name: N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide Traditional Name: N'-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromo-benzohydrazide Formula: C18H12BrN7O3 MolecularWeight: 454.23698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrN7O3/c19-12-7-5-11(6-8-12)18(27)24-23-16-15(26(28)29)17(21-9-20-16)25-10-22-13-3-1-2-4-14(13)25/h1-10H,(H,24,27)(H,20,21,23)