5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-nitrophenyl)-5-(4-piperonylpiperazino)oxazole-4-carbonitrile Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)C5=CC=CC=C5[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)C5=CC=CC=C5[N+](=O)[O-])C#N

InChI

InChI=1S/C22H19N5O5/c23-12-17-22(32-21(24-17)16-3-1-2-4-18(16)27(28)29)26-9-7-25(8-10-26)13-15-5-6-19-20(11-15)31-14-30-19/h1-6,11H,7-10,13-14H2