2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]ethanoic acid Openeye Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetic acid CAS Name: 2-[3-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-adamantyl]acetic acid IUPAC Name: 2-[3-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-adamantyl]acetic acid Traditional Name: 2-[3-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-adamantyl]acetic acid Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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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(=NN1C23CC4CC(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)