methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]benzoic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-31-21(28)16-2-4-17(5-3-16)23-20(27)19-18(26(29)30)12-25(24-19)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,23,27)