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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-16-2-3-17(14-20(16)27(31)32)22(28)25-8-6-23(7-9-25)18-4-5-19(26(29)30)21(15-18)24-10-12-33-13-11-24/h2-5,14-15H,6-13H2,1H3