2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-9-6-10(2-4-12(9)19(20)21)15-17-18-16(24-15)11-3-5-13-14(7-11)23-8-22-13/h2-7H,8H2,1H3