1-(1-adamantyl)-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C23H27N5O7 MolecularWeight: 485.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O7/c29-12-18(21(30)16-1-3-17(4-2-16)27(32)33)24-22(31)20-19(28(34)35)11-26(25-20)23-8-13-5-14(9-23)7-15(6-13)10-23/h1-4,11,13-15,18,21,29-30H,5-10,12H2,(H,24,31)