1-(1-adamantyl)-4-nitro-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-hydroxy-5-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-hydroxy-5-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-hydroxy-5-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-hydroxy-5-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c26-17-2-1-14(24(28)29)6-15(17)21-19(27)18-16(25(30)31)10-23(22-18)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13,26H,3-5,7-9H2,(H,21,27)