methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N6O5/c1-3-25-10-15(17(23-25)20(29)32-2)22-19(28)18-16(27(30)31)11-26(24-18)21-7-12-4-13(8-21)6-14(5-12)9-21/h10-14H,3-9H2,1-2H3,(H,22,28)