1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c26-20(22-15-1-2-17-18(6-15)30-11-29-17)19-16(25(27)28)10-24(23-19)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14H,3-5,7-9,11H2,(H,22,26)