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

Systemtic Name: ethyl 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H28N6O5 MolecularWeight: 456.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O5/c1-3-26-11-16(18(24-26)21(30)33-4-2)23-20(29)19-17(28(31)32)12-27(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h11-15H,3-10H2,1-2H3,(H,23,29)