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

Systemtic Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O6/c1-16-3-17(2)5-23(4-16)39-24-10-21(9-22(11-24)32(35)36)29-27(34)26-25(33(37)38)15-31(30-26)28-12-18-6-19(13-28)8-20(7-18)14-28/h3-5,9-11,15,18-20H,6-8,12-14H2,1-2H3,(H,29,34)