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

Systemtic Name: ethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N6O5/c1-2-37-25(34)20-14-27-31(19-6-4-3-5-7-19)23(20)28-24(33)22-21(32(35)36)15-30(29-22)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-7,14-18H,2,8-13H2,1H3,(H,28,33)