(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H17N5O3/c14-10(19)12-2-8-1-9(3-12)5-13(4-8,6-12)17-7-15-11(16-17)18(20)21/h7-9H,1-6H2,(H2,14,19)/t8-,9+,12?,13?