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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C21H22ClN5O6 MolecularWeight: 475.88228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O6/c22-17-3-1-15(13-19(17)27(31)32)21(28)25-7-5-23(6-8-25)16-2-4-18(26(29)30)20(14-16)24-9-11-33-12-10-24/h1-4,13-14H,5-12H2