dimethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H26N4O7 MolecularWeight: 482.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O7/c1-34-22(30)16-6-17(23(31)35-2)8-18(7-16)25-21(29)20-19(28(32)33)12-27(26-20)24-9-13-3-14(10-24)5-15(4-13)11-24/h6-8,12-15H,3-5,9-11H2,1-2H3,(H,25,29)