1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-pyrazole-3-carboxamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H24N4O5/c27-21(23-16-1-2-18-19(8-16)31-4-3-30-18)20-17(26(28)29)12-25(24-20)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,12-15H,3-7,9-11H2,(H,23,27)