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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-4-nitro-phenyl)piperazino]methanone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16ClN3O5/c19-14-10-13(22(24)25)2-3-15(14)20-5-7-21(8-6-20)18(23)12-1-4-16-17(9-12)27-11-26-16/h1-4,9-10H,5-8,11H2