1-(1-adamantyl)-N-[2,6-bis(bromanyl)-4-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[2,6-bis(bromanyl)-4-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2,6-dibromo-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2,6-dibromo-4-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2,6-dibromo-4-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2,6-dibromo-4-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C20H19Br2N5O5 MolecularWeight: 569.20336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5Br)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5Br)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C20H19Br2N5O5/c21-14-4-13(26(29)30)5-15(22)17(14)23-19(28)18-16(27(31)32)9-25(24-18)20-6-10-1-11(7-20)3-12(2-10)8-20/h4-5,9-12H,1-3,6-8H2,(H,23,28)