3-(2-methylphenyl)-5-(6-nitro-1,3-benzodioxol-5-yl)-2,5-dihydro-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-(6-nitro-1,3-benzodioxol-5-yl)-2,5-dihydro-1,2,4-oxadiazole Openeye Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-3-(o-tolyl)-2,5-dihydro-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-(6-nitro-1,3-benzodioxol-5-yl)-2,5-dihydro-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-(6-nitro-1,3-benzodioxol-5-yl)-2,5-dihydro-1,2,4-oxadiazole Traditional Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-3-(o-tolyl)-2,5-dihydro-1,2,4-oxadiazole Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(ON2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(ON2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C16H13N3O5/c1-9-4-2-3-5-10(9)15-17-16(24-18-15)11-6-13-14(23-8-22-13)7-12(11)19(20)21/h2-7,16H,8H2,1H3,(H,17,18)