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

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3/c1-4-12-5-7-13(8-6-12)16-17-14(24-19-16)9-20-11(3)15(21(22)23)10(2)18-20/h5-8H,4,9H2,1-3H3