3-(1,3-benzodioxol-5-yl)-5-[5-nitro-2-(phenylmethyl)pyrazol-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[5-nitro-2-(phenylmethyl)pyrazol-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(2-benzyl-5-nitro-pyrazol-3-yl)-1,2,4-oxadiazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-1,2,4-oxadiazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(2-benzyl-5-nitropyrazol-3-yl)-1,2,4-oxadiazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(2-benzyl-5-nitro-pyrazol-3-yl)-1,2,4-oxadiazole Formula: C19H13N5O5 MolecularWeight: 391.33702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C4=CC(=NN4CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C4=CC(=NN4CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O5/c25-24(26)17-9-14(23(21-17)10-12-4-2-1-3-5-12)19-20-18(22-29-19)13-6-7-15-16(8-13)28-11-27-15/h1-9H,10-11H2