2-[(5S,7R)-3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(4-nitropyrazol-1-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(4-nitro-1-pyrazolyl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(4-nitropyrazol-1-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(4-nitropyrazol-1-yl)-1-adamantyl]acetate Formula: C15H18N3O4- MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c19-13(20)6-14-2-10-1-11(3-14)5-15(4-10,9-14)17-8-12(7-16-17)18(21)22/h7-8,10-11H,1-6,9H2,(H,19,20)/p-1/t10-,11+,14?,15?