[4-(4-chloranyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)methanone

Systemtic Name: [4-(4-chloranyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)methanone Openeye Name: [4-(4-chloro-3-nitro-benzoyl)piperazin-1-yl]-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)methanone CAS Name: [4-[(4-chloro-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-[3-nitro-4-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: [4-(4-chloro-3-nitrobenzoyl)piperazin-1-yl]-(3-nitro-4-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: [4-(4-chloro-3-nitro-benzoyl)piperazino]-(3-nitro-4-piperazin-4-ium-1-yl-phenyl)methanone Formula: C22H24ClN6O6+ MolecularWeight: 503.91556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O6/c23-17-3-1-15(13-19(17)28(32)33)21(30)26-9-11-27(12-10-26)22(31)16-2-4-18(20(14-16)29(34)35)25-7-5-24-6-8-25/h1-4,13-14,24H,5-12H2/p+1