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

Systemtic Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromanyl-benzohydrazide Openeye Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromo-benzohydrazide CAS Name: N'-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-4-bromobenzohydrazide IUPAC Name: N'-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-4-bromobenzohydrazide Traditional Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-bromo-benzohydrazide Formula: C17H11BrN8O3 MolecularWeight: 455.22504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrN8O3/c18-11-7-5-10(6-8-11)17(27)23-22-15-14(26(28)29)16(20-9-19-15)25-13-4-2-1-3-12(13)21-24-25/h1-9H,(H,23,27)(H,19,20,22)