1-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-cyano-4-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-cyano-4-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-cyano-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5/c22-10-15-6-16(26(29)30)1-2-17(15)23-20(28)19-18(27(31)32)11-25(24-19)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,11-14H,3-5,7-9H2,(H,23,28)