N-(2-adamantyl)-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(2-adamantyl)-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(2-adamantyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(2-adamantyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(2-adamantyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(2-adamantyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H17ClN4O3 MolecularWeight: 324.76278

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(C(=NN4)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H17ClN4O3/c15-10-12(17-18-13(10)19(21)22)14(20)16-11-8-2-6-1-7(4-8)5-9(11)3-6/h6-9,11H,1-5H2,(H,16,20)(H,17,18)