N-[1-(1-adamantyl)pyrazol-3-yl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=C(C(=NN5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=C(C(=NN5)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN6O3/c18-13-14(20-21-15(13)24(26)27)16(25)19-12-1-2-23(22-12)17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H,20,21)(H,19,22,25)