ethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

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