1-(1-adamantyl)-N-(3-ethanoylphenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(3-ethanoylphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(3-acetylphenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide CAS Name: N-(3-acetylphenyl)-1-(1-adamantyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(1-adamantyl)-4-nitropyrazole-3-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-13(27)17-3-2-4-18(8-17)23-21(28)20-19(26(29)30)12-25(24-20)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,12,14-16H,5-7,9-11H2,1H3,(H,23,28)