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

Systemtic Name: 2-[(5S,7R)-3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetate Formula: C16H19ClN3O4- MolecularWeight: 352.79276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O4/c1-9-13(17)14(20(23)24)18-19(9)16-5-10-2-11(6-16)4-15(3-10,8-16)7-12(21)22/h10-11H,2-8H2,1H3,(H,21,22)/p-1/t10-,11+,15?,16?