N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide

Systemtic Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide CAS Name: N'-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: N'-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Formula: C18H13N9O5 MolecularWeight: 435.35312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N9O5/c28-15(9-11-5-7-12(8-6-11)26(29)30)22-23-17-16(27(31)32)18(20-10-19-17)25-14-4-2-1-3-13(14)21-24-25/h1-8,10H,9H2,(H,22,28)(H,19,20,23)