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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-nitrophenyl)piperazino]methanone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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