1-(1-adamantyl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H24ClN5O6 MolecularWeight: 537.95166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O6/c27-18-1-3-21(4-2-18)38-22-9-19(8-20(10-22)31(34)35)28-25(33)24-23(32(36)37)14-30(29-24)26-11-15-5-16(12-26)7-17(6-15)13-26/h1-4,8-10,14-17H,5-7,11-13H2,(H,28,33)