1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C29H31N5O6 MolecularWeight: 545.58634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O6/c1-16-4-17(2)18(3)26(5-16)40-24-10-22(9-23(11-24)33(36)37)30-28(35)27-25(34(38)39)15-32(31-27)29-12-19-6-20(13-29)8-21(7-19)14-29/h4-5,9-11,15,19-21H,6-8,12-14H2,1-3H3,(H,30,35)