8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromanyl-quinoline

Systemtic Name: 8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromanyl-quinoline Openeye Name: 8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 8-[[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]oxy]-5-bromoquinoline IUPAC Name: 8-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline Formula: C20H11BrN6O3 MolecularWeight: 463.24374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C20H11BrN6O3/c21-13-7-8-16(17-12(13)4-3-9-22-17)30-20-18(27(28)29)19(23-10-24-20)26-11-25-14-5-1-2-6-15(14)26/h1-11H