1-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-ethoxy-2-nitrophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-ethoxy-2-nitrophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-2-33-16-3-4-17(18(8-16)26(29)30)23-21(28)20-19(27(31)32)12-25(24-20)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15H,2,5-7,9-11H2,1H3,(H,23,28)