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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-chloro-2-nitro-phenyl)piperazino]methanone Formula: C18H15Cl2N3O5 MolecularWeight: 424.2348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O5/c19-12-1-2-14(15(9-12)23(25)26)21-3-5-22(6-4-21)18(24)11-7-13(20)17-16(8-11)27-10-28-17/h1-2,7-9H,3-6,10H2