N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-21(22-20-15-8-13-7-14(10-15)11-16(20)9-13)17-5-6-24(23-17)12-29-19-4-2-1-3-18(19)25(27)28/h1-6,13-16,20H,7-12H2,(H,22,26)