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

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(O2)COC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(O2)COC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-10-6-11(2-4-13(10)20(21)22)17-19-18-16(26-17)8-23-12-3-5-14-15(7-12)25-9-24-14/h2-7H,8-9H2,1H3