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

Systemtic Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylate Openeye Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylate CAS Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylate Traditional Name: (5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylate Formula: C13H15N4O4- MolecularWeight: 291.2826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4/c18-10(19)12-2-8-1-9(3-12)5-13(4-8,6-12)16-7-14-11(15-16)17(20)21/h7-9H,1-6H2,(H,18,19)/p-1/t8-,9+,12?,13?