1,3-benzodioxol-5-yl-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-chloro-6-nitro-phenyl)piperazino]methanone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

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