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

Systemtic Name: 5-[4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-nitro-phenyl]-3-methyl-1,2,4-oxadiazole Openeye Name: 5-[4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-nitro-phenyl]-3-methyl-1,2,4-oxadiazole CAS Name: 5-[4-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-3-nitrophenyl]-3-methyl-1,2,4-oxadiazole IUPAC Name: 5-[4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-3-nitrophenyl]-3-methyl-1,2,4-oxadiazole Traditional Name: 5-[4-[4-(1,3-benzodioxol-5-yl)piperazino]-3-nitro-phenyl]-3-methyl-1,2,4-oxadiazole Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-13-21-20(30-22-13)14-2-4-16(17(10-14)25(26)27)24-8-6-23(7-9-24)15-3-5-18-19(11-15)29-12-28-18/h2-5,10-11H,6-9,12H2,1H3