N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C17H10ClN9O5 MolecularWeight: 455.7716

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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)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN9O5/c18-10-6-5-9(7-13(10)26(29)30)17(28)23-22-15-14(27(31)32)16(20-8-19-15)25-12-4-2-1-3-11(12)21-24-25/h1-8H,(H,23,28)(H,19,20,22)