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

Systemtic Name: 2-[(5S,7R)-3-(4-bromanyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(4-bromo-3-nitro-1-pyrazolyl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(4-bromo-3-nitropyrazol-1-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(4-bromo-3-nitro-pyrazol-1-yl)-1-adamantyl]acetate Formula: C15H17BrN3O4- MolecularWeight: 383.21718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O4/c16-11-7-18(17-13(11)19(22)23)15-4-9-1-10(5-15)3-14(2-9,8-15)6-12(20)21/h7,9-10H,1-6,8H2,(H,20,21)/p-1/t9-,10+,14?,15?