1-(1-adamantyl)-4-nitro-N-(3-nitro-5-pyridin-3-yloxy-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(3-nitro-5-pyridin-3-yloxy-phenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(3-pyridyloxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(3-pyridinyloxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(3-pyridyloxy)phenyl]pyrazole-3-carboxamide Formula: C25H24N6O6 MolecularWeight: 504.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC(=C5)OC6=CN=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC(=C5)OC6=CN=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O6/c32-24(27-18-7-19(30(33)34)9-21(8-18)37-20-2-1-3-26-13-20)23-22(31(35)36)14-29(28-23)25-10-15-4-16(11-25)6-17(5-15)12-25/h1-3,7-9,13-17H,4-6,10-12H2,(H,27,32)