5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-(4-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-(4-pyridyl)-1,2,4-oxadiazole Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC(=NO2)C3=CC=NC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC(=NO2)C3=CC=NC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3/c1-8-12(19(20)21)9(2)18(16-8)7-11-15-13(17-22-11)10-3-5-14-6-4-10/h3-6H,7H2,1-2H3