1-(1-adamantyl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C27H26ClN5O6 MolecularWeight: 551.97824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C27H26ClN5O6/c1-15-4-21(2-3-23(15)28)39-22-9-19(8-20(10-22)32(35)36)29-26(34)25-24(33(37)38)14-31(30-25)27-11-16-5-17(12-27)7-18(6-16)13-27/h2-4,8-10,14,16-18H,5-7,11-13H2,1H3,(H,29,34)